#======================================================================

# CRYSTAL DATA

#----------------------------------------------------------------------

data_VESTA_phase_1


_chemical_name_common                  ''
_cell_length_a                         18.87700
_cell_length_b                         18.87700
_cell_length_c                         92.74380
_cell_angle_alpha                      90
_cell_angle_beta                       90
_cell_angle_gamma                      90
_space_group_name_H-M_alt              'P 1'
_space_group_IT_number                 1

loop_
_space_group_symop_operation_xyz
   'x, y, z'

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_U_iso_or_equiv
   _atom_site_type_symbol
   SR1        1.0     0.000000      0.125000      0.016100     Uiso  0.900000 Sr
   SR2        1.0     0.500000      0.125000      0.016100     Uiso  0.900000 Sr
   SR3        1.0     0.000000      0.625000      0.016100     Uiso  0.900000 Sr
   SR4        1.0     0.500000      0.625000      0.016100     Uiso  0.900000 Sr
   SR5        1.0     0.000000      0.375000      0.067233     Uiso  0.900000 Sr
   SR6        1.0     0.500000      0.375000      0.067233     Uiso  0.900000 Sr
   SR7        1.0     0.000000      0.875000      0.067233     Uiso  0.900000 Sr
   SR8        1.0     0.500000      0.875000      0.067233     Uiso  0.900000 Sr
   CL9        1.0     0.000000      0.125000      0.063950     Uiso  0.900000 Cl
   CL10       1.0     0.500000      0.125000      0.063950     Uiso  0.900000 Cl
   CL11       1.0     0.000000      0.625000      0.063950     Uiso  0.900000 Cl
   CL12       1.0     0.500000      0.625000      0.063950     Uiso  0.900000 Cl
   CL13       1.0     0.250000      0.375000      0.063950     Uiso  0.900000 Cl
   CL14       1.0     0.750000      0.375000      0.063950     Uiso  0.900000 Cl
   CL15       1.0     0.250000      0.875000      0.063950     Uiso  0.900000 Cl
   CL16       1.0     0.750000      0.875000      0.063950     Uiso  0.900000 Cl
   CL17       1.0     0.000000      0.375000      0.019383     Uiso  0.900000 Cl
   CL18       1.0     0.500000      0.375000      0.019383     Uiso  0.900000 Cl
   CL19       1.0     0.000000      0.875000      0.019383     Uiso  0.900000 Cl
   CL20       1.0     0.500000      0.875000      0.019383     Uiso  0.900000 Cl
   CL21       1.0     0.250000      0.125000      0.019383     Uiso  0.900000 Cl
   CL22       1.0     0.750000      0.125000      0.019383     Uiso  0.900000 Cl
   CL23       1.0     0.250000      0.625000      0.019383     Uiso  0.900000 Cl
   CL24       1.0     0.750000      0.625000      0.019383     Uiso  0.900000 Cl
   CU25       1.0     0.000000      0.000000      0.041667     Uiso  0.900000 Cu
   CU26       1.0     0.500000      0.000000      0.041667     Uiso  0.900000 Cu
   CU27       1.0     0.000000      0.500000      0.041667     Uiso  0.900000 Cu
   CU28       1.0     0.500000      0.500000      0.041667     Uiso  0.900000 Cu
   CU29       1.0     0.250000      0.250000      0.041667     Uiso  0.900000 Cu
   CU30       1.0     0.750000      0.250000      0.041667     Uiso  0.900000 Cu
   CU31       1.0     0.250000      0.750000      0.041667     Uiso  0.900000 Cu
   CU32       1.0     0.750000      0.750000      0.041667     Uiso  0.900000 Cu
   CU33       1.0     0.000000      0.250000      0.041667     Uiso  0.900000 Cu
   CU34       1.0     0.500000      0.250000      0.041667     Uiso  0.900000 Cu
   CU35       1.0     0.000000      0.750000      0.041667     Uiso  0.900000 Cu
   CU36       1.0     0.500000      0.750000      0.041667     Uiso  0.900000 Cu
   CU37       1.0     0.250000      0.000000      0.041667     Uiso  0.900000 Cu
   CU38       1.0     0.750000      0.000000      0.041667     Uiso  0.900000 Cu
   CU39       1.0     0.250000      0.500000      0.041667     Uiso  0.900000 Cu
   CU40       1.0     0.750000      0.500000      0.041667     Uiso  0.900000 Cu
   CU41       1.0     0.125000      0.125000      0.041667     Uiso  0.900000 Cu
   CU42       1.0     0.625000      0.125000      0.041667     Uiso  0.900000 Cu
   CU43       1.0     0.125000      0.625000      0.041667     Uiso  0.900000 Cu
   CU44       1.0     0.625000      0.625000      0.041667     Uiso  0.900000 Cu
   CU45       1.0     0.375000      0.375000      0.041667     Uiso  0.900000 Cu
   CU46       1.0     0.875000      0.375000      0.041667     Uiso  0.900000 Cu
   CU47       1.0     0.375000      0.875000      0.041667     Uiso  0.900000 Cu
   CU48       1.0     0.875000      0.875000      0.041667     Uiso  0.900000 Cu
   CU49       1.0     0.375000      0.125000      0.041667     Uiso  0.900000 Cu
   CU50       1.0     0.875000      0.125000      0.041667     Uiso  0.900000 Cu
   CU51       1.0     0.375000      0.625000      0.041667     Uiso  0.900000 Cu
   CU52       1.0     0.875000      0.625000      0.041667     Uiso  0.900000 Cu
   CU53       1.0     0.125000      0.375000      0.041667     Uiso  0.900000 Cu
   CU54       1.0     0.625000      0.375000      0.041667     Uiso  0.900000 Cu
   CU55       1.0     0.125000      0.875000      0.041667     Uiso  0.900000 Cu
   CU56       1.0     0.625000      0.875000      0.041667     Uiso  0.900000 Cu
   O57        1.0     0.324000      0.301000      0.031092     Uiso  0.900000 O
   O58        1.0     0.824000      0.301000      0.031092     Uiso  0.900000 O
   O59        1.0     0.324000      0.801000      0.031092     Uiso  0.900000 O
   O60        1.0     0.824000      0.801000      0.031092     Uiso  0.900000 O
   O61        1.0     0.074000      0.051000      0.031092     Uiso  0.900000 O
   O62        1.0     0.574000      0.051000      0.031092     Uiso  0.900000 O
   O63        1.0     0.074000      0.551000      0.031092     Uiso  0.900000 O
   O64        1.0     0.574000      0.551000      0.031092     Uiso  0.900000 O
   O65        1.0     0.176000      0.449000      0.031092     Uiso  0.900000 O
   O66        1.0     0.676000      0.449000      0.031092     Uiso  0.900000 O
   O67        1.0     0.176000      0.949000      0.031092     Uiso  0.900000 O
   O68        1.0     0.676000      0.949000      0.031092     Uiso  0.900000 O
   O69        1.0     0.426000      0.199000      0.031092     Uiso  0.900000 O
   O70        1.0     0.926000      0.199000      0.031092     Uiso  0.900000 O
   O71        1.0     0.426000      0.699000      0.031092     Uiso  0.900000 O
   O72        1.0     0.926000      0.699000      0.031092     Uiso  0.900000 O
   O73        1.0     0.324000      0.199000      0.052242     Uiso  0.900000 O
   O74        1.0     0.824000      0.199000      0.052242     Uiso  0.900000 O
   O75        1.0     0.324000      0.699000      0.052242     Uiso  0.900000 O
   O76        1.0     0.824000      0.699000      0.052242     Uiso  0.900000 O
   O77        1.0     0.074000      0.449000      0.052242     Uiso  0.900000 O
   O78        1.0     0.574000      0.449000      0.052242     Uiso  0.900000 O
   O79        1.0     0.074000      0.949000      0.052242     Uiso  0.900000 O
   O80        1.0     0.574000      0.949000      0.052242     Uiso  0.900000 O
   O81        1.0     0.176000      0.051000      0.052242     Uiso  0.900000 O
   O82        1.0     0.676000      0.051000      0.052242     Uiso  0.900000 O
   O83        1.0     0.176000      0.551000      0.052242     Uiso  0.900000 O
   O84        1.0     0.676000      0.551000      0.052242     Uiso  0.900000 O
   O85        1.0     0.426000      0.301000      0.052242     Uiso  0.900000 O
   O86        1.0     0.926000      0.301000      0.052242     Uiso  0.900000 O
   O87        1.0     0.426000      0.801000      0.052242     Uiso  0.900000 O
   O88        1.0     0.926000      0.801000      0.052242     Uiso  0.900000 O
   O89        1.0     0.176000      0.199000      0.052242     Uiso  0.900000 O
   O90        1.0     0.676000      0.199000      0.052242     Uiso  0.900000 O
   O91        1.0     0.176000      0.699000      0.052242     Uiso  0.900000 O
   O92        1.0     0.676000      0.699000      0.052242     Uiso  0.900000 O
   O93        1.0     0.426000      0.449000      0.052242     Uiso  0.900000 O
   O94        1.0     0.926000      0.449000      0.052242     Uiso  0.900000 O
   O95        1.0     0.426000      0.949000      0.052242     Uiso  0.900000 O
   O96        1.0     0.926000      0.949000      0.052242     Uiso  0.900000 O
   O97        1.0     0.324000      0.051000      0.052242     Uiso  0.900000 O
   O98        1.0     0.824000      0.051000      0.052242     Uiso  0.900000 O
   O99        1.0     0.324000      0.551000      0.052242     Uiso  0.900000 O
   O100       1.0     0.824000      0.551000      0.052242     Uiso  0.900000 O
   O101       1.0     0.074000      0.301000      0.052242     Uiso  0.900000 O
   O102       1.0     0.574000      0.301000      0.052242     Uiso  0.900000 O
   O103       1.0     0.074000      0.801000      0.052242     Uiso  0.900000 O
   O104       1.0     0.574000      0.801000      0.052242     Uiso  0.900000 O
   O105       1.0     0.176000      0.301000      0.031092     Uiso  0.900000 O
   O106       1.0     0.676000      0.301000      0.031092     Uiso  0.900000 O
   O107       1.0     0.176000      0.801000      0.031092     Uiso  0.900000 O
   O108       1.0     0.676000      0.801000      0.031092     Uiso  0.900000 O
   O109       1.0     0.426000      0.051000      0.031092     Uiso  0.900000 O
   O110       1.0     0.926000      0.051000      0.031092     Uiso  0.900000 O
   O111       1.0     0.426000      0.551000      0.031092     Uiso  0.900000 O
   O112       1.0     0.926000      0.551000      0.031092     Uiso  0.900000 O
   O113       1.0     0.324000      0.449000      0.031092     Uiso  0.900000 O
   O114       1.0     0.824000      0.449000      0.031092     Uiso  0.900000 O
   O115       1.0     0.324000      0.949000      0.031092     Uiso  0.900000 O
   O116       1.0     0.824000      0.949000      0.031092     Uiso  0.900000 O
   O117       1.0     0.074000      0.199000      0.031092     Uiso  0.900000 O
   O118       1.0     0.574000      0.199000      0.031092     Uiso  0.900000 O
   O119       1.0     0.074000      0.699000      0.031092     Uiso  0.900000 O
   O120       1.0     0.574000      0.699000      0.031092     Uiso  0.900000 O
   O121       1.0     0.000000      0.000000      0.000000     Uiso  0.900000 O
   O122       1.0     0.500000      0.000000      0.000000     Uiso  0.900000 O
   O123       1.0     0.000000      0.500000      0.000000     Uiso  0.900000 O
   O124       1.0     0.500000      0.500000      0.000000     Uiso  0.900000 O
   O125       1.0     0.250000      0.250000      0.000000     Uiso  0.900000 O
   O126       1.0     0.750000      0.250000      0.000000     Uiso  0.900000 O
   O127       1.0     0.250000      0.750000      0.000000     Uiso  0.900000 O
   O128       1.0     0.750000      0.750000      0.000000     Uiso  0.900000 O
   O129       1.0     0.000000      0.250000      0.000000     Uiso  0.900000 O
   O130       1.0     0.500000      0.250000      0.000000     Uiso  0.900000 O
   O131       1.0     0.000000      0.750000      0.000000     Uiso  0.900000 O
   O132       1.0     0.500000      0.750000      0.000000     Uiso  0.900000 O
   O133       1.0     0.250000      0.000000      0.000000     Uiso  0.900000 O
   O134       1.0     0.750000      0.000000      0.000000     Uiso  0.900000 O
   O135       1.0     0.250000      0.500000      0.000000     Uiso  0.900000 O
   O136       1.0     0.750000      0.500000      0.000000     Uiso  0.900000 O
   O137       1.0     0.125000      0.125000      0.000000     Uiso  0.900000 O
   O138       1.0     0.625000      0.125000      0.000000     Uiso  0.900000 O
   O139       1.0     0.125000      0.625000      0.000000     Uiso  0.900000 O
   O140       1.0     0.625000      0.625000      0.000000     Uiso  0.900000 O
   O141       1.0     0.375000      0.375000      0.000000     Uiso  0.900000 O
   O142       1.0     0.875000      0.375000      0.000000     Uiso  0.900000 O
   O143       1.0     0.375000      0.875000      0.000000     Uiso  0.900000 O
   O144       1.0     0.875000      0.875000      0.000000     Uiso  0.900000 O
   O145       1.0     0.375000      0.125000      0.000000     Uiso  0.900000 O
   O146       1.0     0.875000      0.125000      0.000000     Uiso  0.900000 O
   O147       1.0     0.375000      0.625000      0.000000     Uiso  0.900000 O
   O148       1.0     0.875000      0.625000      0.000000     Uiso  0.900000 O
   O149       1.0     0.125000      0.375000      0.000000     Uiso  0.900000 O
   O150       1.0     0.625000      0.375000      0.000000     Uiso  0.900000 O
   O151       1.0     0.125000      0.875000      0.000000     Uiso  0.900000 O
   O152       1.0     0.625000      0.875000      0.000000     Uiso  0.900000 O
   SR153      1.0     0.125000      0.250000      0.099433     Uiso  0.900000 Sr
   SR154      1.0     0.625000      0.250000      0.099433     Uiso  0.900000 Sr
   SR155      1.0     0.125000      0.750000      0.099433     Uiso  0.900000 Sr
   SR156      1.0     0.625000      0.750000      0.099433     Uiso  0.900000 Sr
   SR157      1.0     0.375000      0.000000      0.099433     Uiso  0.900000 Sr
   SR158      1.0     0.875000      0.000000      0.099433     Uiso  0.900000 Sr
   SR159      1.0     0.375000      0.500000      0.099433     Uiso  0.900000 Sr
   SR160      1.0     0.875000      0.500000      0.099433     Uiso  0.900000 Sr
   CL161      1.0     0.125000      0.250000      0.147283     Uiso  0.900000 Cl
   CL162      1.0     0.625000      0.250000      0.147283     Uiso  0.900000 Cl
   CL163      1.0     0.125000      0.750000      0.147283     Uiso  0.900000 Cl
   CL164      1.0     0.625000      0.750000      0.147283     Uiso  0.900000 Cl
   CL165      1.0     0.375000      0.000000      0.147283     Uiso  0.900000 Cl
   CL166      1.0     0.875000      0.000000      0.147283     Uiso  0.900000 Cl
   CL167      1.0     0.375000      0.500000      0.147283     Uiso  0.900000 Cl
   CL168      1.0     0.875000      0.500000      0.147283     Uiso  0.900000 Cl
   CL169      1.0     0.125000      0.000000      0.102717     Uiso  0.900000 Cl
   CL170      1.0     0.625000      0.000000      0.102717     Uiso  0.900000 Cl
   CL171      1.0     0.125000      0.500000      0.102717     Uiso  0.900000 Cl
   CL172      1.0     0.625000      0.500000      0.102717     Uiso  0.900000 Cl
   CL173      1.0     0.375000      0.250000      0.102717     Uiso  0.900000 Cl
   CL174      1.0     0.875000      0.250000      0.102717     Uiso  0.900000 Cl
   CL175      1.0     0.375000      0.750000      0.102717     Uiso  0.900000 Cl
   CL176      1.0     0.875000      0.750000      0.102717     Uiso  0.900000 Cl
   CU177      1.0     0.125000      0.125000      0.125000     Uiso  0.900000 Cu
   CU178      1.0     0.625000      0.125000      0.125000     Uiso  0.900000 Cu
   CU179      1.0     0.125000      0.625000      0.125000     Uiso  0.900000 Cu
   CU180      1.0     0.625000      0.625000      0.125000     Uiso  0.900000 Cu
   CU181      1.0     0.375000      0.375000      0.125000     Uiso  0.900000 Cu
   CU182      1.0     0.875000      0.375000      0.125000     Uiso  0.900000 Cu
   CU183      1.0     0.375000      0.875000      0.125000     Uiso  0.900000 Cu
   CU184      1.0     0.875000      0.875000      0.125000     Uiso  0.900000 Cu
   CU185      1.0     0.125000      0.375000      0.125000     Uiso  0.900000 Cu
   CU186      1.0     0.625000      0.375000      0.125000     Uiso  0.900000 Cu
   CU187      1.0     0.125000      0.875000      0.125000     Uiso  0.900000 Cu
   CU188      1.0     0.625000      0.875000      0.125000     Uiso  0.900000 Cu
   CU189      1.0     0.375000      0.125000      0.125000     Uiso  0.900000 Cu
   CU190      1.0     0.875000      0.125000      0.125000     Uiso  0.900000 Cu
   CU191      1.0     0.375000      0.625000      0.125000     Uiso  0.900000 Cu
   CU192      1.0     0.875000      0.625000      0.125000     Uiso  0.900000 Cu
   CU193      1.0     0.250000      0.250000      0.125000     Uiso  0.900000 Cu
   CU194      1.0     0.750000      0.250000      0.125000     Uiso  0.900000 Cu
   CU195      1.0     0.250000      0.750000      0.125000     Uiso  0.900000 Cu
   CU196      1.0     0.750000      0.750000      0.125000     Uiso  0.900000 Cu
   CU197      1.0     0.000000      0.000000      0.125000     Uiso  0.900000 Cu
   CU198      1.0     0.500000      0.000000      0.125000     Uiso  0.900000 Cu
   CU199      1.0     0.000000      0.500000      0.125000     Uiso  0.900000 Cu
   CU200      1.0     0.500000      0.500000      0.125000     Uiso  0.900000 Cu
   CU201      1.0     0.000000      0.250000      0.125000     Uiso  0.900000 Cu
   CU202      1.0     0.500000      0.250000      0.125000     Uiso  0.900000 Cu
   CU203      1.0     0.000000      0.750000      0.125000     Uiso  0.900000 Cu
   CU204      1.0     0.500000      0.750000      0.125000     Uiso  0.900000 Cu
   CU205      1.0     0.250000      0.000000      0.125000     Uiso  0.900000 Cu
   CU206      1.0     0.750000      0.000000      0.125000     Uiso  0.900000 Cu
   CU207      1.0     0.250000      0.500000      0.125000     Uiso  0.900000 Cu
   CU208      1.0     0.750000      0.500000      0.125000     Uiso  0.900000 Cu
   O209       1.0     0.449000      0.426000      0.114425     Uiso  0.900000 O
   O210       1.0     0.949000      0.426000      0.114425     Uiso  0.900000 O
   O211       1.0     0.449000      0.926000      0.114425     Uiso  0.900000 O
   O212       1.0     0.949000      0.926000      0.114425     Uiso  0.900000 O
   O213       1.0     0.199000      0.176000      0.114425     Uiso  0.900000 O
   O214       1.0     0.699000      0.176000      0.114425     Uiso  0.900000 O
   O215       1.0     0.199000      0.676000      0.114425     Uiso  0.900000 O
   O216       1.0     0.699000      0.676000      0.114425     Uiso  0.900000 O
   O217       1.0     0.301000      0.074000      0.114425     Uiso  0.900000 O
   O218       1.0     0.801000      0.074000      0.114425     Uiso  0.900000 O
   O219       1.0     0.301000      0.574000      0.114425     Uiso  0.900000 O
   O220       1.0     0.801000      0.574000      0.114425     Uiso  0.900000 O
   O221       1.0     0.051000      0.324000      0.114425     Uiso  0.900000 O
   O222       1.0     0.551000      0.324000      0.114425     Uiso  0.900000 O
   O223       1.0     0.051000      0.824000      0.114425     Uiso  0.900000 O
   O224       1.0     0.551000      0.824000      0.114425     Uiso  0.900000 O
   O225       1.0     0.449000      0.324000      0.135575     Uiso  0.900000 O
   O226       1.0     0.949000      0.324000      0.135575     Uiso  0.900000 O
   O227       1.0     0.449000      0.824000      0.135575     Uiso  0.900000 O
   O228       1.0     0.949000      0.824000      0.135575     Uiso  0.900000 O
   O229       1.0     0.199000      0.074000      0.135575     Uiso  0.900000 O
   O230       1.0     0.699000      0.074000      0.135575     Uiso  0.900000 O
   O231       1.0     0.199000      0.574000      0.135575     Uiso  0.900000 O
   O232       1.0     0.699000      0.574000      0.135575     Uiso  0.900000 O
   O233       1.0     0.301000      0.176000      0.135575     Uiso  0.900000 O
   O234       1.0     0.801000      0.176000      0.135575     Uiso  0.900000 O
   O235       1.0     0.301000      0.676000      0.135575     Uiso  0.900000 O
   O236       1.0     0.801000      0.676000      0.135575     Uiso  0.900000 O
   O237       1.0     0.051000      0.426000      0.135575     Uiso  0.900000 O
   O238       1.0     0.551000      0.426000      0.135575     Uiso  0.900000 O
   O239       1.0     0.051000      0.926000      0.135575     Uiso  0.900000 O
   O240       1.0     0.551000      0.926000      0.135575     Uiso  0.900000 O
   O241       1.0     0.301000      0.324000      0.135575     Uiso  0.900000 O
   O242       1.0     0.801000      0.324000      0.135575     Uiso  0.900000 O
   O243       1.0     0.301000      0.824000      0.135575     Uiso  0.900000 O
   O244       1.0     0.801000      0.824000      0.135575     Uiso  0.900000 O
   O245       1.0     0.051000      0.074000      0.135575     Uiso  0.900000 O
   O246       1.0     0.551000      0.074000      0.135575     Uiso  0.900000 O
   O247       1.0     0.051000      0.574000      0.135575     Uiso  0.900000 O
   O248       1.0     0.551000      0.574000      0.135575     Uiso  0.900000 O
   O249       1.0     0.449000      0.176000      0.135575     Uiso  0.900000 O
   O250       1.0     0.949000      0.176000      0.135575     Uiso  0.900000 O
   O251       1.0     0.449000      0.676000      0.135575     Uiso  0.900000 O
   O252       1.0     0.949000      0.676000      0.135575     Uiso  0.900000 O
   O253       1.0     0.199000      0.426000      0.135575     Uiso  0.900000 O
   O254       1.0     0.699000      0.426000      0.135575     Uiso  0.900000 O
   O255       1.0     0.199000      0.926000      0.135575     Uiso  0.900000 O
   O256       1.0     0.699000      0.926000      0.135575     Uiso  0.900000 O
   O257       1.0     0.301000      0.426000      0.114425     Uiso  0.900000 O
   O258       1.0     0.801000      0.426000      0.114425     Uiso  0.900000 O
   O259       1.0     0.301000      0.926000      0.114425     Uiso  0.900000 O
   O260       1.0     0.801000      0.926000      0.114425     Uiso  0.900000 O
   O261       1.0     0.051000      0.176000      0.114425     Uiso  0.900000 O
   O262       1.0     0.551000      0.176000      0.114425     Uiso  0.900000 O
   O263       1.0     0.051000      0.676000      0.114425     Uiso  0.900000 O
   O264       1.0     0.551000      0.676000      0.114425     Uiso  0.900000 O
   O265       1.0     0.449000      0.074000      0.114425     Uiso  0.900000 O
   O266       1.0     0.949000      0.074000      0.114425     Uiso  0.900000 O
   O267       1.0     0.449000      0.574000      0.114425     Uiso  0.900000 O
   O268       1.0     0.949000      0.574000      0.114425     Uiso  0.900000 O
   O269       1.0     0.199000      0.324000      0.114425     Uiso  0.900000 O
   O270       1.0     0.699000      0.324000      0.114425     Uiso  0.900000 O
   O271       1.0     0.199000      0.824000      0.114425     Uiso  0.900000 O
   O272       1.0     0.699000      0.824000      0.114425     Uiso  0.900000 O
   O273       1.0     0.125000      0.125000      0.083333     Uiso  0.900000 O
   O274       1.0     0.625000      0.125000      0.083333     Uiso  0.900000 O
   O275       1.0     0.125000      0.625000      0.083333     Uiso  0.900000 O
   O276       1.0     0.625000      0.625000      0.083333     Uiso  0.900000 O
   O277       1.0     0.375000      0.375000      0.083333     Uiso  0.900000 O
   O278       1.0     0.875000      0.375000      0.083333     Uiso  0.900000 O
   O279       1.0     0.375000      0.875000      0.083333     Uiso  0.900000 O
   O280       1.0     0.875000      0.875000      0.083333     Uiso  0.900000 O
   O281       1.0     0.125000      0.375000      0.083333     Uiso  0.900000 O
   O282       1.0     0.625000      0.375000      0.083333     Uiso  0.900000 O
   O283       1.0     0.125000      0.875000      0.083333     Uiso  0.900000 O
   O284       1.0     0.625000      0.875000      0.083333     Uiso  0.900000 O
   O285       1.0     0.375000      0.125000      0.083333     Uiso  0.900000 O
   O286       1.0     0.875000      0.125000      0.083333     Uiso  0.900000 O
   O287       1.0     0.375000      0.625000      0.083333     Uiso  0.900000 O
   O288       1.0     0.875000      0.625000      0.083333     Uiso  0.900000 O
   O289       1.0     0.250000      0.250000      0.083333     Uiso  0.900000 O
   O290       1.0     0.750000      0.250000      0.083333     Uiso  0.900000 O
   O291       1.0     0.250000      0.750000      0.083333     Uiso  0.900000 O
   O292       1.0     0.750000      0.750000      0.083333     Uiso  0.900000 O
   O293       1.0     0.000000      0.000000      0.083333     Uiso  0.900000 O
   O294       1.0     0.500000      0.000000      0.083333     Uiso  0.900000 O
   O295       1.0     0.000000      0.500000      0.083333     Uiso  0.900000 O
   O296       1.0     0.500000      0.500000      0.083333     Uiso  0.900000 O
   O297       1.0     0.000000      0.250000      0.083333     Uiso  0.900000 O
   O298       1.0     0.500000      0.250000      0.083333     Uiso  0.900000 O
   O299       1.0     0.000000      0.750000      0.083333     Uiso  0.900000 O
   O300       1.0     0.500000      0.750000      0.083333     Uiso  0.900000 O
   O301       1.0     0.250000      0.000000      0.083333     Uiso  0.900000 O
   O302       1.0     0.750000      0.000000      0.083333     Uiso  0.900000 O
   O303       1.0     0.250000      0.500000      0.083333     Uiso  0.900000 O
   O304       1.0     0.750000      0.500000      0.083333     Uiso  0.900000 O
   SR305      1.0     0.000000      0.125000      0.182767     Uiso  0.900000 Sr
   SR306      1.0     0.500000      0.125000      0.182767     Uiso  0.900000 Sr
   SR307      1.0     0.000000      0.625000      0.182767     Uiso  0.900000 Sr
   SR308      1.0     0.500000      0.625000      0.182767     Uiso  0.900000 Sr
   SR309      1.0     0.250000      0.125000      0.233900     Uiso  0.900000 Sr
   SR310      1.0     0.750000      0.125000      0.233900     Uiso  0.900000 Sr
   SR311      1.0     0.250000      0.625000      0.233900     Uiso  0.900000 Sr
   SR312      1.0     0.750000      0.625000      0.233900     Uiso  0.900000 Sr
   CL313      1.0     0.250000      0.375000      0.230617     Uiso  0.900000 Cl
   CL314      1.0     0.750000      0.375000      0.230617     Uiso  0.900000 Cl
   CL315      1.0     0.250000      0.875000      0.230617     Uiso  0.900000 Cl
   CL316      1.0     0.750000      0.875000      0.230617     Uiso  0.900000 Cl
   CL317      1.0     0.000000      0.125000      0.230617     Uiso  0.900000 Cl
   CL318      1.0     0.500000      0.125000      0.230617     Uiso  0.900000 Cl
   CL319      1.0     0.000000      0.625000      0.230617     Uiso  0.900000 Cl
   CL320      1.0     0.500000      0.625000      0.230617     Uiso  0.900000 Cl
   CL321      1.0     0.250000      0.125000      0.186050     Uiso  0.900000 Cl
   CL322      1.0     0.750000      0.125000      0.186050     Uiso  0.900000 Cl
   CL323      1.0     0.250000      0.625000      0.186050     Uiso  0.900000 Cl
   CL324      1.0     0.750000      0.625000      0.186050     Uiso  0.900000 Cl
   CL325      1.0     0.000000      0.375000      0.186050     Uiso  0.900000 Cl
   CL326      1.0     0.500000      0.375000      0.186050     Uiso  0.900000 Cl
   CL327      1.0     0.000000      0.875000      0.186050     Uiso  0.900000 Cl
   CL328      1.0     0.500000      0.875000      0.186050     Uiso  0.900000 Cl
   CU329      1.0     0.250000      0.250000      0.208333     Uiso  0.900000 Cu
   CU330      1.0     0.750000      0.250000      0.208333     Uiso  0.900000 Cu
   CU331      1.0     0.250000      0.750000      0.208333     Uiso  0.900000 Cu
   CU332      1.0     0.750000      0.750000      0.208333     Uiso  0.900000 Cu
   CU333      1.0     0.000000      0.000000      0.208333     Uiso  0.900000 Cu
   CU334      1.0     0.500000      0.000000      0.208333     Uiso  0.900000 Cu
   CU335      1.0     0.000000      0.500000      0.208333     Uiso  0.900000 Cu
   CU336      1.0     0.500000      0.500000      0.208333     Uiso  0.900000 Cu
   CU337      1.0     0.250000      0.000000      0.208333     Uiso  0.900000 Cu
   CU338      1.0     0.750000      0.000000      0.208333     Uiso  0.900000 Cu
   CU339      1.0     0.250000      0.500000      0.208333     Uiso  0.900000 Cu
   CU340      1.0     0.750000      0.500000      0.208333     Uiso  0.900000 Cu
   CU341      1.0     0.000000      0.250000      0.208333     Uiso  0.900000 Cu
   CU342      1.0     0.500000      0.250000      0.208333     Uiso  0.900000 Cu
   CU343      1.0     0.000000      0.750000      0.208333     Uiso  0.900000 Cu
   CU344      1.0     0.500000      0.750000      0.208333     Uiso  0.900000 Cu
   CU345      1.0     0.375000      0.375000      0.208333     Uiso  0.900000 Cu
   CU346      1.0     0.875000      0.375000      0.208333     Uiso  0.900000 Cu
   CU347      1.0     0.375000      0.875000      0.208333     Uiso  0.900000 Cu
   CU348      1.0     0.875000      0.875000      0.208333     Uiso  0.900000 Cu
   CU349      1.0     0.125000      0.125000      0.208333     Uiso  0.900000 Cu
   CU350      1.0     0.625000      0.125000      0.208333     Uiso  0.900000 Cu
   CU351      1.0     0.125000      0.625000      0.208333     Uiso  0.900000 Cu
   CU352      1.0     0.625000      0.625000      0.208333     Uiso  0.900000 Cu
   CU353      1.0     0.125000      0.375000      0.208333     Uiso  0.900000 Cu
   CU354      1.0     0.625000      0.375000      0.208333     Uiso  0.900000 Cu
   CU355      1.0     0.125000      0.875000      0.208333     Uiso  0.900000 Cu
   CU356      1.0     0.625000      0.875000      0.208333     Uiso  0.900000 Cu
   CU357      1.0     0.375000      0.125000      0.208333     Uiso  0.900000 Cu
   CU358      1.0     0.875000      0.125000      0.208333     Uiso  0.900000 Cu
   CU359      1.0     0.375000      0.625000      0.208333     Uiso  0.900000 Cu
   CU360      1.0     0.875000      0.625000      0.208333     Uiso  0.900000 Cu
   O361       1.0     0.074000      0.051000      0.197758     Uiso  0.900000 O
   O362       1.0     0.574000      0.051000      0.197758     Uiso  0.900000 O
   O363       1.0     0.074000      0.551000      0.197758     Uiso  0.900000 O
   O364       1.0     0.574000      0.551000      0.197758     Uiso  0.900000 O
   O365       1.0     0.324000      0.301000      0.197758     Uiso  0.900000 O
   O366       1.0     0.824000      0.301000      0.197758     Uiso  0.900000 O
   O367       1.0     0.324000      0.801000      0.197758     Uiso  0.900000 O
   O368       1.0     0.824000      0.801000      0.197758     Uiso  0.900000 O
   O369       1.0     0.426000      0.199000      0.197758     Uiso  0.900000 O
   O370       1.0     0.926000      0.199000      0.197758     Uiso  0.900000 O
   O371       1.0     0.426000      0.699000      0.197758     Uiso  0.900000 O
   O372       1.0     0.926000      0.699000      0.197758     Uiso  0.900000 O
   O373       1.0     0.176000      0.449000      0.197758     Uiso  0.900000 O
   O374       1.0     0.676000      0.449000      0.197758     Uiso  0.900000 O
   O375       1.0     0.176000      0.949000      0.197758     Uiso  0.900000 O
   O376       1.0     0.676000      0.949000      0.197758     Uiso  0.900000 O
   O377       1.0     0.074000      0.449000      0.218908     Uiso  0.900000 O
   O378       1.0     0.574000      0.449000      0.218908     Uiso  0.900000 O
   O379       1.0     0.074000      0.949000      0.218908     Uiso  0.900000 O
   O380       1.0     0.574000      0.949000      0.218908     Uiso  0.900000 O
   O381       1.0     0.324000      0.199000      0.218908     Uiso  0.900000 O
   O382       1.0     0.824000      0.199000      0.218908     Uiso  0.900000 O
   O383       1.0     0.324000      0.699000      0.218908     Uiso  0.900000 O
   O384       1.0     0.824000      0.699000      0.218908     Uiso  0.900000 O
   O385       1.0     0.426000      0.301000      0.218908     Uiso  0.900000 O
   O386       1.0     0.926000      0.301000      0.218908     Uiso  0.900000 O
   O387       1.0     0.426000      0.801000      0.218908     Uiso  0.900000 O
   O388       1.0     0.926000      0.801000      0.218908     Uiso  0.900000 O
   O389       1.0     0.176000      0.051000      0.218908     Uiso  0.900000 O
   O390       1.0     0.676000      0.051000      0.218908     Uiso  0.900000 O
   O391       1.0     0.176000      0.551000      0.218908     Uiso  0.900000 O
   O392       1.0     0.676000      0.551000      0.218908     Uiso  0.900000 O
   O393       1.0     0.426000      0.449000      0.218908     Uiso  0.900000 O
   O394       1.0     0.926000      0.449000      0.218908     Uiso  0.900000 O
   O395       1.0     0.426000      0.949000      0.218908     Uiso  0.900000 O
   O396       1.0     0.926000      0.949000      0.218908     Uiso  0.900000 O
   O397       1.0     0.176000      0.199000      0.218908     Uiso  0.900000 O
   O398       1.0     0.676000      0.199000      0.218908     Uiso  0.900000 O
   O399       1.0     0.176000      0.699000      0.218908     Uiso  0.900000 O
   O400       1.0     0.676000      0.699000      0.218908     Uiso  0.900000 O
   O401       1.0     0.074000      0.301000      0.218908     Uiso  0.900000 O
   O402       1.0     0.574000      0.301000      0.218908     Uiso  0.900000 O
   O403       1.0     0.074000      0.801000      0.218908     Uiso  0.900000 O
   O404       1.0     0.574000      0.801000      0.218908     Uiso  0.900000 O
   O405       1.0     0.324000      0.051000      0.218908     Uiso  0.900000 O
   O406       1.0     0.824000      0.051000      0.218908     Uiso  0.900000 O
   O407       1.0     0.324000      0.551000      0.218908     Uiso  0.900000 O
   O408       1.0     0.824000      0.551000      0.218908     Uiso  0.900000 O
   O409       1.0     0.426000      0.051000      0.197758     Uiso  0.900000 O
   O410       1.0     0.926000      0.051000      0.197758     Uiso  0.900000 O
   O411       1.0     0.426000      0.551000      0.197758     Uiso  0.900000 O
   O412       1.0     0.926000      0.551000      0.197758     Uiso  0.900000 O
   O413       1.0     0.176000      0.301000      0.197758     Uiso  0.900000 O
   O414       1.0     0.676000      0.301000      0.197758     Uiso  0.900000 O
   O415       1.0     0.176000      0.801000      0.197758     Uiso  0.900000 O
   O416       1.0     0.676000      0.801000      0.197758     Uiso  0.900000 O
   O417       1.0     0.074000      0.199000      0.197758     Uiso  0.900000 O
   O418       1.0     0.574000      0.199000      0.197758     Uiso  0.900000 O
   O419       1.0     0.074000      0.699000      0.197758     Uiso  0.900000 O
   O420       1.0     0.574000      0.699000      0.197758     Uiso  0.900000 O
   O421       1.0     0.324000      0.449000      0.197758     Uiso  0.900000 O
   O422       1.0     0.824000      0.449000      0.197758     Uiso  0.900000 O
   O423       1.0     0.324000      0.949000      0.197758     Uiso  0.900000 O
   O424       1.0     0.824000      0.949000      0.197758     Uiso  0.900000 O
   O425       1.0     0.250000      0.250000      0.166667     Uiso  0.900000 O
   O426       1.0     0.750000      0.250000      0.166667     Uiso  0.900000 O
   O427       1.0     0.250000      0.750000      0.166667     Uiso  0.900000 O
   O428       1.0     0.750000      0.750000      0.166667     Uiso  0.900000 O
   O429       1.0     0.000000      0.000000      0.166667     Uiso  0.900000 O
   O430       1.0     0.500000      0.000000      0.166667     Uiso  0.900000 O
   O431       1.0     0.000000      0.500000      0.166667     Uiso  0.900000 O
   O432       1.0     0.500000      0.500000      0.166667     Uiso  0.900000 O
   O433       1.0     0.250000      0.000000      0.166667     Uiso  0.900000 O
   O434       1.0     0.750000      0.000000      0.166667     Uiso  0.900000 O
   O435       1.0     0.250000      0.500000      0.166667     Uiso  0.900000 O
   O436       1.0     0.750000      0.500000      0.166667     Uiso  0.900000 O
   O437       1.0     0.000000      0.250000      0.166667     Uiso  0.900000 O
   O438       1.0     0.500000      0.250000      0.166667     Uiso  0.900000 O
   O439       1.0     0.000000      0.750000      0.166667     Uiso  0.900000 O
   O440       1.0     0.500000      0.750000      0.166667     Uiso  0.900000 O
   O441       1.0     0.375000      0.375000      0.166667     Uiso  0.900000 O
   O442       1.0     0.875000      0.375000      0.166667     Uiso  0.900000 O
   O443       1.0     0.375000      0.875000      0.166667     Uiso  0.900000 O
   O444       1.0     0.875000      0.875000      0.166667     Uiso  0.900000 O
   O445       1.0     0.125000      0.125000      0.166667     Uiso  0.900000 O
   O446       1.0     0.625000      0.125000      0.166667     Uiso  0.900000 O
   O447       1.0     0.125000      0.625000      0.166667     Uiso  0.900000 O
   O448       1.0     0.625000      0.625000      0.166667     Uiso  0.900000 O
   O449       1.0     0.125000      0.375000      0.166667     Uiso  0.900000 O
   O450       1.0     0.625000      0.375000      0.166667     Uiso  0.900000 O
   O451       1.0     0.125000      0.875000      0.166667     Uiso  0.900000 O
   O452       1.0     0.625000      0.875000      0.166667     Uiso  0.900000 O
   O453       1.0     0.375000      0.125000      0.166667     Uiso  0.900000 O
   O454       1.0     0.875000      0.125000      0.166667     Uiso  0.900000 O
   O455       1.0     0.375000      0.625000      0.166667     Uiso  0.900000 O
   O456       1.0     0.875000      0.625000      0.166667     Uiso  0.900000 O
   SR457      1.0     0.125000      0.250000      0.266100     Uiso  0.900000 Sr
   SR458      1.0     0.625000      0.250000      0.266100     Uiso  0.900000 Sr
   SR459      1.0     0.125000      0.750000      0.266100     Uiso  0.900000 Sr
   SR460      1.0     0.625000      0.750000      0.266100     Uiso  0.900000 Sr
   SR461      1.0     0.375000      0.250000      0.317233     Uiso  0.900000 Sr
   SR462      1.0     0.875000      0.250000      0.317233     Uiso  0.900000 Sr
   SR463      1.0     0.375000      0.750000      0.317233     Uiso  0.900000 Sr
   SR464      1.0     0.875000      0.750000      0.317233     Uiso  0.900000 Sr
   CL465      1.0     0.375000      0.000000      0.313950     Uiso  0.900000 Cl
   CL466      1.0     0.875000      0.000000      0.313950     Uiso  0.900000 Cl
   CL467      1.0     0.375000      0.500000      0.313950     Uiso  0.900000 Cl
   CL468      1.0     0.875000      0.500000      0.313950     Uiso  0.900000 Cl
   CL469      1.0     0.125000      0.250000      0.313950     Uiso  0.900000 Cl
   CL470      1.0     0.625000      0.250000      0.313950     Uiso  0.900000 Cl
   CL471      1.0     0.125000      0.750000      0.313950     Uiso  0.900000 Cl
   CL472      1.0     0.625000      0.750000      0.313950     Uiso  0.900000 Cl
   CL473      1.0     0.375000      0.250000      0.269383     Uiso  0.900000 Cl
   CL474      1.0     0.875000      0.250000      0.269383     Uiso  0.900000 Cl
   CL475      1.0     0.375000      0.750000      0.269383     Uiso  0.900000 Cl
   CL476      1.0     0.875000      0.750000      0.269383     Uiso  0.900000 Cl
   CL477      1.0     0.125000      0.000000      0.269383     Uiso  0.900000 Cl
   CL478      1.0     0.625000      0.000000      0.269383     Uiso  0.900000 Cl
   CL479      1.0     0.125000      0.500000      0.269383     Uiso  0.900000 Cl
   CL480      1.0     0.625000      0.500000      0.269383     Uiso  0.900000 Cl
   CU481      1.0     0.375000      0.375000      0.291667     Uiso  0.900000 Cu
   CU482      1.0     0.875000      0.375000      0.291667     Uiso  0.900000 Cu
   CU483      1.0     0.375000      0.875000      0.291667     Uiso  0.900000 Cu
   CU484      1.0     0.875000      0.875000      0.291667     Uiso  0.900000 Cu
   CU485      1.0     0.125000      0.125000      0.291667     Uiso  0.900000 Cu
   CU486      1.0     0.625000      0.125000      0.291667     Uiso  0.900000 Cu
   CU487      1.0     0.125000      0.625000      0.291667     Uiso  0.900000 Cu
   CU488      1.0     0.625000      0.625000      0.291667     Uiso  0.900000 Cu
   CU489      1.0     0.375000      0.125000      0.291667     Uiso  0.900000 Cu
   CU490      1.0     0.875000      0.125000      0.291667     Uiso  0.900000 Cu
   CU491      1.0     0.375000      0.625000      0.291667     Uiso  0.900000 Cu
   CU492      1.0     0.875000      0.625000      0.291667     Uiso  0.900000 Cu
   CU493      1.0     0.125000      0.375000      0.291667     Uiso  0.900000 Cu
   CU494      1.0     0.625000      0.375000      0.291667     Uiso  0.900000 Cu
   CU495      1.0     0.125000      0.875000      0.291667     Uiso  0.900000 Cu
   CU496      1.0     0.625000      0.875000      0.291667     Uiso  0.900000 Cu
   CU497      1.0     0.000000      0.000000      0.291667     Uiso  0.900000 Cu
   CU498      1.0     0.500000      0.000000      0.291667     Uiso  0.900000 Cu
   CU499      1.0     0.000000      0.500000      0.291667     Uiso  0.900000 Cu
   CU500      1.0     0.500000      0.500000      0.291667     Uiso  0.900000 Cu
   CU501      1.0     0.250000      0.250000      0.291667     Uiso  0.900000 Cu
   CU502      1.0     0.750000      0.250000      0.291667     Uiso  0.900000 Cu
   CU503      1.0     0.250000      0.750000      0.291667     Uiso  0.900000 Cu
   CU504      1.0     0.750000      0.750000      0.291667     Uiso  0.900000 Cu
   CU505      1.0     0.250000      0.000000      0.291667     Uiso  0.900000 Cu
   CU506      1.0     0.750000      0.000000      0.291667     Uiso  0.900000 Cu
   CU507      1.0     0.250000      0.500000      0.291667     Uiso  0.900000 Cu
   CU508      1.0     0.750000      0.500000      0.291667     Uiso  0.900000 Cu
   CU509      1.0     0.000000      0.250000      0.291667     Uiso  0.900000 Cu
   CU510      1.0     0.500000      0.250000      0.291667     Uiso  0.900000 Cu
   CU511      1.0     0.000000      0.750000      0.291667     Uiso  0.900000 Cu
   CU512      1.0     0.500000      0.750000      0.291667     Uiso  0.900000 Cu
   O513       1.0     0.199000      0.176000      0.281092     Uiso  0.900000 O
   O514       1.0     0.699000      0.176000      0.281092     Uiso  0.900000 O
   O515       1.0     0.199000      0.676000      0.281092     Uiso  0.900000 O
   O516       1.0     0.699000      0.676000      0.281092     Uiso  0.900000 O
   O517       1.0     0.449000      0.426000      0.281092     Uiso  0.900000 O
   O518       1.0     0.949000      0.426000      0.281092     Uiso  0.900000 O
   O519       1.0     0.449000      0.926000      0.281092     Uiso  0.900000 O
   O520       1.0     0.949000      0.926000      0.281092     Uiso  0.900000 O
   O521       1.0     0.051000      0.324000      0.281092     Uiso  0.900000 O
   O522       1.0     0.551000      0.324000      0.281092     Uiso  0.900000 O
   O523       1.0     0.051000      0.824000      0.281092     Uiso  0.900000 O
   O524       1.0     0.551000      0.824000      0.281092     Uiso  0.900000 O
   O525       1.0     0.301000      0.074000      0.281092     Uiso  0.900000 O
   O526       1.0     0.801000      0.074000      0.281092     Uiso  0.900000 O
   O527       1.0     0.301000      0.574000      0.281092     Uiso  0.900000 O
   O528       1.0     0.801000      0.574000      0.281092     Uiso  0.900000 O
   O529       1.0     0.199000      0.074000      0.302242     Uiso  0.900000 O
   O530       1.0     0.699000      0.074000      0.302242     Uiso  0.900000 O
   O531       1.0     0.199000      0.574000      0.302242     Uiso  0.900000 O
   O532       1.0     0.699000      0.574000      0.302242     Uiso  0.900000 O
   O533       1.0     0.449000      0.324000      0.302242     Uiso  0.900000 O
   O534       1.0     0.949000      0.324000      0.302242     Uiso  0.900000 O
   O535       1.0     0.449000      0.824000      0.302242     Uiso  0.900000 O
   O536       1.0     0.949000      0.824000      0.302242     Uiso  0.900000 O
   O537       1.0     0.051000      0.426000      0.302242     Uiso  0.900000 O
   O538       1.0     0.551000      0.426000      0.302242     Uiso  0.900000 O
   O539       1.0     0.051000      0.926000      0.302242     Uiso  0.900000 O
   O540       1.0     0.551000      0.926000      0.302242     Uiso  0.900000 O
   O541       1.0     0.301000      0.176000      0.302242     Uiso  0.900000 O
   O542       1.0     0.801000      0.176000      0.302242     Uiso  0.900000 O
   O543       1.0     0.301000      0.676000      0.302242     Uiso  0.900000 O
   O544       1.0     0.801000      0.676000      0.302242     Uiso  0.900000 O
   O545       1.0     0.051000      0.074000      0.302242     Uiso  0.900000 O
   O546       1.0     0.551000      0.074000      0.302242     Uiso  0.900000 O
   O547       1.0     0.051000      0.574000      0.302242     Uiso  0.900000 O
   O548       1.0     0.551000      0.574000      0.302242     Uiso  0.900000 O
   O549       1.0     0.301000      0.324000      0.302242     Uiso  0.900000 O
   O550       1.0     0.801000      0.324000      0.302242     Uiso  0.900000 O
   O551       1.0     0.301000      0.824000      0.302242     Uiso  0.900000 O
   O552       1.0     0.801000      0.824000      0.302242     Uiso  0.900000 O
   O553       1.0     0.199000      0.426000      0.302242     Uiso  0.900000 O
   O554       1.0     0.699000      0.426000      0.302242     Uiso  0.900000 O
   O555       1.0     0.199000      0.926000      0.302242     Uiso  0.900000 O
   O556       1.0     0.699000      0.926000      0.302242     Uiso  0.900000 O
   O557       1.0     0.449000      0.176000      0.302242     Uiso  0.900000 O
   O558       1.0     0.949000      0.176000      0.302242     Uiso  0.900000 O
   O559       1.0     0.449000      0.676000      0.302242     Uiso  0.900000 O
   O560       1.0     0.949000      0.676000      0.302242     Uiso  0.900000 O
   O561       1.0     0.051000      0.176000      0.281092     Uiso  0.900000 O
   O562       1.0     0.551000      0.176000      0.281092     Uiso  0.900000 O
   O563       1.0     0.051000      0.676000      0.281092     Uiso  0.900000 O
   O564       1.0     0.551000      0.676000      0.281092     Uiso  0.900000 O
   O565       1.0     0.301000      0.426000      0.281092     Uiso  0.900000 O
   O566       1.0     0.801000      0.426000      0.281092     Uiso  0.900000 O
   O567       1.0     0.301000      0.926000      0.281092     Uiso  0.900000 O
   O568       1.0     0.801000      0.926000      0.281092     Uiso  0.900000 O
   O569       1.0     0.199000      0.324000      0.281092     Uiso  0.900000 O
   O570       1.0     0.699000      0.324000      0.281092     Uiso  0.900000 O
   O571       1.0     0.199000      0.824000      0.281092     Uiso  0.900000 O
   O572       1.0     0.699000      0.824000      0.281092     Uiso  0.900000 O
   O573       1.0     0.449000      0.074000      0.281092     Uiso  0.900000 O
   O574       1.0     0.949000      0.074000      0.281092     Uiso  0.900000 O
   O575       1.0     0.449000      0.574000      0.281092     Uiso  0.900000 O
   O576       1.0     0.949000      0.574000      0.281092     Uiso  0.900000 O
   O577       1.0     0.375000      0.375000      0.250000     Uiso  0.900000 O
   O578       1.0     0.875000      0.375000      0.250000     Uiso  0.900000 O
   O579       1.0     0.375000      0.875000      0.250000     Uiso  0.900000 O
   O580       1.0     0.875000      0.875000      0.250000     Uiso  0.900000 O
   O581       1.0     0.125000      0.125000      0.250000     Uiso  0.900000 O
   O582       1.0     0.625000      0.125000      0.250000     Uiso  0.900000 O
   O583       1.0     0.125000      0.625000      0.250000     Uiso  0.900000 O
   O584       1.0     0.625000      0.625000      0.250000     Uiso  0.900000 O
   O585       1.0     0.375000      0.125000      0.250000     Uiso  0.900000 O
   O586       1.0     0.875000      0.125000      0.250000     Uiso  0.900000 O
   O587       1.0     0.375000      0.625000      0.250000     Uiso  0.900000 O
   O588       1.0     0.875000      0.625000      0.250000     Uiso  0.900000 O
   O589       1.0     0.125000      0.375000      0.250000     Uiso  0.900000 O
   O590       1.0     0.625000      0.375000      0.250000     Uiso  0.900000 O
   O591       1.0     0.125000      0.875000      0.250000     Uiso  0.900000 O
   O592       1.0     0.625000      0.875000      0.250000     Uiso  0.900000 O
   O593       1.0     0.000000      0.000000      0.250000     Uiso  0.900000 O
   O594       1.0     0.500000      0.000000      0.250000     Uiso  0.900000 O
   O595       1.0     0.000000      0.500000      0.250000     Uiso  0.900000 O
   O596       1.0     0.500000      0.500000      0.250000     Uiso  0.900000 O
   O597       1.0     0.250000      0.250000      0.250000     Uiso  0.900000 O
   O598       1.0     0.750000      0.250000      0.250000     Uiso  0.900000 O
   O599       1.0     0.250000      0.750000      0.250000     Uiso  0.900000 O
   O600       1.0     0.750000      0.750000      0.250000     Uiso  0.900000 O
   O601       1.0     0.250000      0.000000      0.250000     Uiso  0.900000 O
   O602       1.0     0.750000      0.000000      0.250000     Uiso  0.900000 O
   O603       1.0     0.250000      0.500000      0.250000     Uiso  0.900000 O
   O604       1.0     0.750000      0.500000      0.250000     Uiso  0.900000 O
   O605       1.0     0.000000      0.250000      0.250000     Uiso  0.900000 O
   O606       1.0     0.500000      0.250000      0.250000     Uiso  0.900000 O
   O607       1.0     0.000000      0.750000      0.250000     Uiso  0.900000 O
   O608       1.0     0.500000      0.750000      0.250000     Uiso  0.900000 O
   SR609      1.0     0.000000      0.125000      0.349433     Uiso  0.900000 Sr
   SR610      1.0     0.500000      0.125000      0.349433     Uiso  0.900000 Sr
   SR611      1.0     0.000000      0.625000      0.349433     Uiso  0.900000 Sr
   SR612      1.0     0.500000      0.625000      0.349433     Uiso  0.900000 Sr
   SR613      1.0     0.000000      0.375000      0.400567     Uiso  0.900000 Sr
   SR614      1.0     0.500000      0.375000      0.400567     Uiso  0.900000 Sr
   SR615      1.0     0.000000      0.875000      0.400567     Uiso  0.900000 Sr
   SR616      1.0     0.500000      0.875000      0.400567     Uiso  0.900000 Sr
   CL617      1.0     0.000000      0.125000      0.397283     Uiso  0.900000 Cl
   CL618      1.0     0.500000      0.125000      0.397283     Uiso  0.900000 Cl
   CL619      1.0     0.000000      0.625000      0.397283     Uiso  0.900000 Cl
   CL620      1.0     0.500000      0.625000      0.397283     Uiso  0.900000 Cl
   CL621      1.0     0.250000      0.375000      0.397283     Uiso  0.900000 Cl
   CL622      1.0     0.750000      0.375000      0.397283     Uiso  0.900000 Cl
   CL623      1.0     0.250000      0.875000      0.397283     Uiso  0.900000 Cl
   CL624      1.0     0.750000      0.875000      0.397283     Uiso  0.900000 Cl
   CL625      1.0     0.000000      0.375000      0.352717     Uiso  0.900000 Cl
   CL626      1.0     0.500000      0.375000      0.352717     Uiso  0.900000 Cl
   CL627      1.0     0.000000      0.875000      0.352717     Uiso  0.900000 Cl
   CL628      1.0     0.500000      0.875000      0.352717     Uiso  0.900000 Cl
   CL629      1.0     0.250000      0.125000      0.352717     Uiso  0.900000 Cl
   CL630      1.0     0.750000      0.125000      0.352717     Uiso  0.900000 Cl
   CL631      1.0     0.250000      0.625000      0.352717     Uiso  0.900000 Cl
   CL632      1.0     0.750000      0.625000      0.352717     Uiso  0.900000 Cl
   CU633      1.0     0.000000      0.000000      0.375000     Uiso  0.900000 Cu
   CU634      1.0     0.500000      0.000000      0.375000     Uiso  0.900000 Cu
   CU635      1.0     0.000000      0.500000      0.375000     Uiso  0.900000 Cu
   CU636      1.0     0.500000      0.500000      0.375000     Uiso  0.900000 Cu
   CU637      1.0     0.250000      0.250000      0.375000     Uiso  0.900000 Cu
   CU638      1.0     0.750000      0.250000      0.375000     Uiso  0.900000 Cu
   CU639      1.0     0.250000      0.750000      0.375000     Uiso  0.900000 Cu
   CU640      1.0     0.750000      0.750000      0.375000     Uiso  0.900000 Cu
   CU641      1.0     0.000000      0.250000      0.375000     Uiso  0.900000 Cu
   CU642      1.0     0.500000      0.250000      0.375000     Uiso  0.900000 Cu
   CU643      1.0     0.000000      0.750000      0.375000     Uiso  0.900000 Cu
   CU644      1.0     0.500000      0.750000      0.375000     Uiso  0.900000 Cu
   CU645      1.0     0.250000      0.000000      0.375000     Uiso  0.900000 Cu
   CU646      1.0     0.750000      0.000000      0.375000     Uiso  0.900000 Cu
   CU647      1.0     0.250000      0.500000      0.375000     Uiso  0.900000 Cu
   CU648      1.0     0.750000      0.500000      0.375000     Uiso  0.900000 Cu
   CU649      1.0     0.125000      0.125000      0.375000     Uiso  0.900000 Cu
   CU650      1.0     0.625000      0.125000      0.375000     Uiso  0.900000 Cu
   CU651      1.0     0.125000      0.625000      0.375000     Uiso  0.900000 Cu
   CU652      1.0     0.625000      0.625000      0.375000     Uiso  0.900000 Cu
   CU653      1.0     0.375000      0.375000      0.375000     Uiso  0.900000 Cu
   CU654      1.0     0.875000      0.375000      0.375000     Uiso  0.900000 Cu
   CU655      1.0     0.375000      0.875000      0.375000     Uiso  0.900000 Cu
   CU656      1.0     0.875000      0.875000      0.375000     Uiso  0.900000 Cu
   CU657      1.0     0.375000      0.125000      0.375000     Uiso  0.900000 Cu
   CU658      1.0     0.875000      0.125000      0.375000     Uiso  0.900000 Cu
   CU659      1.0     0.375000      0.625000      0.375000     Uiso  0.900000 Cu
   CU660      1.0     0.875000      0.625000      0.375000     Uiso  0.900000 Cu
   CU661      1.0     0.125000      0.375000      0.375000     Uiso  0.900000 Cu
   CU662      1.0     0.625000      0.375000      0.375000     Uiso  0.900000 Cu
   CU663      1.0     0.125000      0.875000      0.375000     Uiso  0.900000 Cu
   CU664      1.0     0.625000      0.875000      0.375000     Uiso  0.900000 Cu
   O665       1.0     0.324000      0.301000      0.364425     Uiso  0.900000 O
   O666       1.0     0.824000      0.301000      0.364425     Uiso  0.900000 O
   O667       1.0     0.324000      0.801000      0.364425     Uiso  0.900000 O
   O668       1.0     0.824000      0.801000      0.364425     Uiso  0.900000 O
   O669       1.0     0.074000      0.051000      0.364425     Uiso  0.900000 O
   O670       1.0     0.574000      0.051000      0.364425     Uiso  0.900000 O
   O671       1.0     0.074000      0.551000      0.364425     Uiso  0.900000 O
   O672       1.0     0.574000      0.551000      0.364425     Uiso  0.900000 O
   O673       1.0     0.176000      0.449000      0.364425     Uiso  0.900000 O
   O674       1.0     0.676000      0.449000      0.364425     Uiso  0.900000 O
   O675       1.0     0.176000      0.949000      0.364425     Uiso  0.900000 O
   O676       1.0     0.676000      0.949000      0.364425     Uiso  0.900000 O
   O677       1.0     0.426000      0.199000      0.364425     Uiso  0.900000 O
   O678       1.0     0.926000      0.199000      0.364425     Uiso  0.900000 O
   O679       1.0     0.426000      0.699000      0.364425     Uiso  0.900000 O
   O680       1.0     0.926000      0.699000      0.364425     Uiso  0.900000 O
   O681       1.0     0.324000      0.199000      0.385575     Uiso  0.900000 O
   O682       1.0     0.824000      0.199000      0.385575     Uiso  0.900000 O
   O683       1.0     0.324000      0.699000      0.385575     Uiso  0.900000 O
   O684       1.0     0.824000      0.699000      0.385575     Uiso  0.900000 O
   O685       1.0     0.074000      0.449000      0.385575     Uiso  0.900000 O
   O686       1.0     0.574000      0.449000      0.385575     Uiso  0.900000 O
   O687       1.0     0.074000      0.949000      0.385575     Uiso  0.900000 O
   O688       1.0     0.574000      0.949000      0.385575     Uiso  0.900000 O
   O689       1.0     0.176000      0.051000      0.385575     Uiso  0.900000 O
   O690       1.0     0.676000      0.051000      0.385575     Uiso  0.900000 O
   O691       1.0     0.176000      0.551000      0.385575     Uiso  0.900000 O
   O692       1.0     0.676000      0.551000      0.385575     Uiso  0.900000 O
   O693       1.0     0.426000      0.301000      0.385575     Uiso  0.900000 O
   O694       1.0     0.926000      0.301000      0.385575     Uiso  0.900000 O
   O695       1.0     0.426000      0.801000      0.385575     Uiso  0.900000 O
   O696       1.0     0.926000      0.801000      0.385575     Uiso  0.900000 O
   O697       1.0     0.176000      0.199000      0.385575     Uiso  0.900000 O
   O698       1.0     0.676000      0.199000      0.385575     Uiso  0.900000 O
   O699       1.0     0.176000      0.699000      0.385575     Uiso  0.900000 O
   O700       1.0     0.676000      0.699000      0.385575     Uiso  0.900000 O
   O701       1.0     0.426000      0.449000      0.385575     Uiso  0.900000 O
   O702       1.0     0.926000      0.449000      0.385575     Uiso  0.900000 O
   O703       1.0     0.426000      0.949000      0.385575     Uiso  0.900000 O
   O704       1.0     0.926000      0.949000      0.385575     Uiso  0.900000 O
   O705       1.0     0.324000      0.051000      0.385575     Uiso  0.900000 O
   O706       1.0     0.824000      0.051000      0.385575     Uiso  0.900000 O
   O707       1.0     0.324000      0.551000      0.385575     Uiso  0.900000 O
   O708       1.0     0.824000      0.551000      0.385575     Uiso  0.900000 O
   O709       1.0     0.074000      0.301000      0.385575     Uiso  0.900000 O
   O710       1.0     0.574000      0.301000      0.385575     Uiso  0.900000 O
   O711       1.0     0.074000      0.801000      0.385575     Uiso  0.900000 O
   O712       1.0     0.574000      0.801000      0.385575     Uiso  0.900000 O
   O713       1.0     0.176000      0.301000      0.364425     Uiso  0.900000 O
   O714       1.0     0.676000      0.301000      0.364425     Uiso  0.900000 O
   O715       1.0     0.176000      0.801000      0.364425     Uiso  0.900000 O
   O716       1.0     0.676000      0.801000      0.364425     Uiso  0.900000 O
   O717       1.0     0.426000      0.051000      0.364425     Uiso  0.900000 O
   O718       1.0     0.926000      0.051000      0.364425     Uiso  0.900000 O
   O719       1.0     0.426000      0.551000      0.364425     Uiso  0.900000 O
   O720       1.0     0.926000      0.551000      0.364425     Uiso  0.900000 O
   O721       1.0     0.324000      0.449000      0.364425     Uiso  0.900000 O
   O722       1.0     0.824000      0.449000      0.364425     Uiso  0.900000 O
   O723       1.0     0.324000      0.949000      0.364425     Uiso  0.900000 O
   O724       1.0     0.824000      0.949000      0.364425     Uiso  0.900000 O
   O725       1.0     0.074000      0.199000      0.364425     Uiso  0.900000 O
   O726       1.0     0.574000      0.199000      0.364425     Uiso  0.900000 O
   O727       1.0     0.074000      0.699000      0.364425     Uiso  0.900000 O
   O728       1.0     0.574000      0.699000      0.364425     Uiso  0.900000 O
   O729       1.0     0.000000      0.000000      0.333333     Uiso  0.900000 O
   O730       1.0     0.500000      0.000000      0.333333     Uiso  0.900000 O
   O731       1.0     0.000000      0.500000      0.333333     Uiso  0.900000 O
   O732       1.0     0.500000      0.500000      0.333333     Uiso  0.900000 O
   O733       1.0     0.250000      0.250000      0.333333     Uiso  0.900000 O
   O734       1.0     0.750000      0.250000      0.333333     Uiso  0.900000 O
   O735       1.0     0.250000      0.750000      0.333333     Uiso  0.900000 O
   O736       1.0     0.750000      0.750000      0.333333     Uiso  0.900000 O
   O737       1.0     0.000000      0.250000      0.333333     Uiso  0.900000 O
   O738       1.0     0.500000      0.250000      0.333333     Uiso  0.900000 O
   O739       1.0     0.000000      0.750000      0.333333     Uiso  0.900000 O
   O740       1.0     0.500000      0.750000      0.333333     Uiso  0.900000 O
   O741       1.0     0.250000      0.000000      0.333333     Uiso  0.900000 O
   O742       1.0     0.750000      0.000000      0.333333     Uiso  0.900000 O
   O743       1.0     0.250000      0.500000      0.333333     Uiso  0.900000 O
   O744       1.0     0.750000      0.500000      0.333333     Uiso  0.900000 O
   O745       1.0     0.125000      0.125000      0.333333     Uiso  0.900000 O
   O746       1.0     0.625000      0.125000      0.333333     Uiso  0.900000 O
   O747       1.0     0.125000      0.625000      0.333333     Uiso  0.900000 O
   O748       1.0     0.625000      0.625000      0.333333     Uiso  0.900000 O
   O749       1.0     0.375000      0.375000      0.333333     Uiso  0.900000 O
   O750       1.0     0.875000      0.375000      0.333333     Uiso  0.900000 O
   O751       1.0     0.375000      0.875000      0.333333     Uiso  0.900000 O
   O752       1.0     0.875000      0.875000      0.333333     Uiso  0.900000 O
   O753       1.0     0.375000      0.125000      0.333333     Uiso  0.900000 O
   O754       1.0     0.875000      0.125000      0.333333     Uiso  0.900000 O
   O755       1.0     0.375000      0.625000      0.333333     Uiso  0.900000 O
   O756       1.0     0.875000      0.625000      0.333333     Uiso  0.900000 O
   O757       1.0     0.125000      0.375000      0.333333     Uiso  0.900000 O
   O758       1.0     0.625000      0.375000      0.333333     Uiso  0.900000 O
   O759       1.0     0.125000      0.875000      0.333333     Uiso  0.900000 O
   O760       1.0     0.625000      0.875000      0.333333     Uiso  0.900000 O
   SR761      1.0     0.125000      0.000000      0.483900     Uiso  0.900000 Sr
   SR762      1.0     0.625000      0.000000      0.483900     Uiso  0.900000 Sr
   SR763      1.0     0.125000      0.500000      0.483900     Uiso  0.900000 Sr
   SR764      1.0     0.625000      0.500000      0.483900     Uiso  0.900000 Sr
   SR765      1.0     0.375000      0.250000      0.483900     Uiso  0.900000 Sr
   SR766      1.0     0.875000      0.250000      0.483900     Uiso  0.900000 Sr
   SR767      1.0     0.375000      0.750000      0.483900     Uiso  0.900000 Sr
   SR768      1.0     0.875000      0.750000      0.483900     Uiso  0.900000 Sr
   CL769      1.0     0.125000      0.250000      0.480617     Uiso  0.900000 Cl
   CL770      1.0     0.625000      0.250000      0.480617     Uiso  0.900000 Cl
   CL771      1.0     0.125000      0.750000      0.480617     Uiso  0.900000 Cl
   CL772      1.0     0.625000      0.750000      0.480617     Uiso  0.900000 Cl
   CL773      1.0     0.375000      0.000000      0.480617     Uiso  0.900000 Cl
   CL774      1.0     0.875000      0.000000      0.480617     Uiso  0.900000 Cl
   CL775      1.0     0.375000      0.500000      0.480617     Uiso  0.900000 Cl
   CL776      1.0     0.875000      0.500000      0.480617     Uiso  0.900000 Cl
   CL777      1.0     0.125000      0.000000      0.436050     Uiso  0.900000 Cl
   CL778      1.0     0.625000      0.000000      0.436050     Uiso  0.900000 Cl
   CL779      1.0     0.125000      0.500000      0.436050     Uiso  0.900000 Cl
   CL780      1.0     0.625000      0.500000      0.436050     Uiso  0.900000 Cl
   CL781      1.0     0.375000      0.250000      0.436050     Uiso  0.900000 Cl
   CL782      1.0     0.875000      0.250000      0.436050     Uiso  0.900000 Cl
   CL783      1.0     0.375000      0.750000      0.436050     Uiso  0.900000 Cl
   CL784      1.0     0.875000      0.750000      0.436050     Uiso  0.900000 Cl
   CU785      1.0     0.125000      0.125000      0.458333     Uiso  0.900000 Cu
   CU786      1.0     0.625000      0.125000      0.458333     Uiso  0.900000 Cu
   CU787      1.0     0.125000      0.625000      0.458333     Uiso  0.900000 Cu
   CU788      1.0     0.625000      0.625000      0.458333     Uiso  0.900000 Cu
   CU789      1.0     0.375000      0.375000      0.458333     Uiso  0.900000 Cu
   CU790      1.0     0.875000      0.375000      0.458333     Uiso  0.900000 Cu
   CU791      1.0     0.375000      0.875000      0.458333     Uiso  0.900000 Cu
   CU792      1.0     0.875000      0.875000      0.458333     Uiso  0.900000 Cu
   CU793      1.0     0.125000      0.375000      0.458333     Uiso  0.900000 Cu
   CU794      1.0     0.625000      0.375000      0.458333     Uiso  0.900000 Cu
   CU795      1.0     0.125000      0.875000      0.458333     Uiso  0.900000 Cu
   CU796      1.0     0.625000      0.875000      0.458333     Uiso  0.900000 Cu
   CU797      1.0     0.375000      0.125000      0.458333     Uiso  0.900000 Cu
   CU798      1.0     0.875000      0.125000      0.458333     Uiso  0.900000 Cu
   CU799      1.0     0.375000      0.625000      0.458333     Uiso  0.900000 Cu
   CU800      1.0     0.875000      0.625000      0.458333     Uiso  0.900000 Cu
   CU801      1.0     0.250000      0.250000      0.458333     Uiso  0.900000 Cu
   CU802      1.0     0.750000      0.250000      0.458333     Uiso  0.900000 Cu
   CU803      1.0     0.250000      0.750000      0.458333     Uiso  0.900000 Cu
   CU804      1.0     0.750000      0.750000      0.458333     Uiso  0.900000 Cu
   CU805      1.0     0.000000      0.000000      0.458333     Uiso  0.900000 Cu
   CU806      1.0     0.500000      0.000000      0.458333     Uiso  0.900000 Cu
   CU807      1.0     0.000000      0.500000      0.458333     Uiso  0.900000 Cu
   CU808      1.0     0.500000      0.500000      0.458333     Uiso  0.900000 Cu
   CU809      1.0     0.000000      0.250000      0.458333     Uiso  0.900000 Cu
   CU810      1.0     0.500000      0.250000      0.458333     Uiso  0.900000 Cu
   CU811      1.0     0.000000      0.750000      0.458333     Uiso  0.900000 Cu
   CU812      1.0     0.500000      0.750000      0.458333     Uiso  0.900000 Cu
   CU813      1.0     0.250000      0.000000      0.458333     Uiso  0.900000 Cu
   CU814      1.0     0.750000      0.000000      0.458333     Uiso  0.900000 Cu
   CU815      1.0     0.250000      0.500000      0.458333     Uiso  0.900000 Cu
   CU816      1.0     0.750000      0.500000      0.458333     Uiso  0.900000 Cu
   O817       1.0     0.449000      0.426000      0.447758     Uiso  0.900000 O
   O818       1.0     0.949000      0.426000      0.447758     Uiso  0.900000 O
   O819       1.0     0.449000      0.926000      0.447758     Uiso  0.900000 O
   O820       1.0     0.949000      0.926000      0.447758     Uiso  0.900000 O
   O821       1.0     0.199000      0.176000      0.447758     Uiso  0.900000 O
   O822       1.0     0.699000      0.176000      0.447758     Uiso  0.900000 O
   O823       1.0     0.199000      0.676000      0.447758     Uiso  0.900000 O
   O824       1.0     0.699000      0.676000      0.447758     Uiso  0.900000 O
   O825       1.0     0.301000      0.074000      0.447758     Uiso  0.900000 O
   O826       1.0     0.801000      0.074000      0.447758     Uiso  0.900000 O
   O827       1.0     0.301000      0.574000      0.447758     Uiso  0.900000 O
   O828       1.0     0.801000      0.574000      0.447758     Uiso  0.900000 O
   O829       1.0     0.051000      0.324000      0.447758     Uiso  0.900000 O
   O830       1.0     0.551000      0.324000      0.447758     Uiso  0.900000 O
   O831       1.0     0.051000      0.824000      0.447758     Uiso  0.900000 O
   O832       1.0     0.551000      0.824000      0.447758     Uiso  0.900000 O
   O833       1.0     0.449000      0.324000      0.468908     Uiso  0.900000 O
   O834       1.0     0.949000      0.324000      0.468908     Uiso  0.900000 O
   O835       1.0     0.449000      0.824000      0.468908     Uiso  0.900000 O
   O836       1.0     0.949000      0.824000      0.468908     Uiso  0.900000 O
   O837       1.0     0.199000      0.074000      0.468908     Uiso  0.900000 O
   O838       1.0     0.699000      0.074000      0.468908     Uiso  0.900000 O
   O839       1.0     0.199000      0.574000      0.468908     Uiso  0.900000 O
   O840       1.0     0.699000      0.574000      0.468908     Uiso  0.900000 O
   O841       1.0     0.301000      0.176000      0.468908     Uiso  0.900000 O
   O842       1.0     0.801000      0.176000      0.468908     Uiso  0.900000 O
   O843       1.0     0.301000      0.676000      0.468908     Uiso  0.900000 O
   O844       1.0     0.801000      0.676000      0.468908     Uiso  0.900000 O
   O845       1.0     0.051000      0.426000      0.468908     Uiso  0.900000 O
   O846       1.0     0.551000      0.426000      0.468908     Uiso  0.900000 O
   O847       1.0     0.051000      0.926000      0.468908     Uiso  0.900000 O
   O848       1.0     0.551000      0.926000      0.468908     Uiso  0.900000 O
   O849       1.0     0.301000      0.324000      0.468908     Uiso  0.900000 O
   O850       1.0     0.801000      0.324000      0.468908     Uiso  0.900000 O
   O851       1.0     0.301000      0.824000      0.468908     Uiso  0.900000 O
   O852       1.0     0.801000      0.824000      0.468908     Uiso  0.900000 O
   O853       1.0     0.051000      0.074000      0.468908     Uiso  0.900000 O
   O854       1.0     0.551000      0.074000      0.468908     Uiso  0.900000 O
   O855       1.0     0.051000      0.574000      0.468908     Uiso  0.900000 O
   O856       1.0     0.551000      0.574000      0.468908     Uiso  0.900000 O
   O857       1.0     0.449000      0.176000      0.468908     Uiso  0.900000 O
   O858       1.0     0.949000      0.176000      0.468908     Uiso  0.900000 O
   O859       1.0     0.449000      0.676000      0.468908     Uiso  0.900000 O
   O860       1.0     0.949000      0.676000      0.468908     Uiso  0.900000 O
   O861       1.0     0.199000      0.426000      0.468908     Uiso  0.900000 O
   O862       1.0     0.699000      0.426000      0.468908     Uiso  0.900000 O
   O863       1.0     0.199000      0.926000      0.468908     Uiso  0.900000 O
   O864       1.0     0.699000      0.926000      0.468908     Uiso  0.900000 O
   O865       1.0     0.301000      0.426000      0.447758     Uiso  0.900000 O
   O866       1.0     0.801000      0.426000      0.447758     Uiso  0.900000 O
   O867       1.0     0.301000      0.926000      0.447758     Uiso  0.900000 O
   O868       1.0     0.801000      0.926000      0.447758     Uiso  0.900000 O
   O869       1.0     0.051000      0.176000      0.447758     Uiso  0.900000 O
   O870       1.0     0.551000      0.176000      0.447758     Uiso  0.900000 O
   O871       1.0     0.051000      0.676000      0.447758     Uiso  0.900000 O
   O872       1.0     0.551000      0.676000      0.447758     Uiso  0.900000 O
   O873       1.0     0.449000      0.074000      0.447758     Uiso  0.900000 O
   O874       1.0     0.949000      0.074000      0.447758     Uiso  0.900000 O
   O875       1.0     0.449000      0.574000      0.447758     Uiso  0.900000 O
   O876       1.0     0.949000      0.574000      0.447758     Uiso  0.900000 O
   O877       1.0     0.199000      0.324000      0.447758     Uiso  0.900000 O
   O878       1.0     0.699000      0.324000      0.447758     Uiso  0.900000 O
   O879       1.0     0.199000      0.824000      0.447758     Uiso  0.900000 O
   O880       1.0     0.699000      0.824000      0.447758     Uiso  0.900000 O
   O881       1.0     0.125000      0.125000      0.416667     Uiso  0.900000 O
   O882       1.0     0.625000      0.125000      0.416667     Uiso  0.900000 O
   O883       1.0     0.125000      0.625000      0.416667     Uiso  0.900000 O
   O884       1.0     0.625000      0.625000      0.416667     Uiso  0.900000 O
   O885       1.0     0.375000      0.375000      0.416667     Uiso  0.900000 O
   O886       1.0     0.875000      0.375000      0.416667     Uiso  0.900000 O
   O887       1.0     0.375000      0.875000      0.416667     Uiso  0.900000 O
   O888       1.0     0.875000      0.875000      0.416667     Uiso  0.900000 O
   O889       1.0     0.125000      0.375000      0.416667     Uiso  0.900000 O
   O890       1.0     0.625000      0.375000      0.416667     Uiso  0.900000 O
   O891       1.0     0.125000      0.875000      0.416667     Uiso  0.900000 O
   O892       1.0     0.625000      0.875000      0.416667     Uiso  0.900000 O
   O893       1.0     0.375000      0.125000      0.416667     Uiso  0.900000 O
   O894       1.0     0.875000      0.125000      0.416667     Uiso  0.900000 O
   O895       1.0     0.375000      0.625000      0.416667     Uiso  0.900000 O
   O896       1.0     0.875000      0.625000      0.416667     Uiso  0.900000 O
   O897       1.0     0.250000      0.250000      0.416667     Uiso  0.900000 O
   O898       1.0     0.750000      0.250000      0.416667     Uiso  0.900000 O
   O899       1.0     0.250000      0.750000      0.416667     Uiso  0.900000 O
   O900       1.0     0.750000      0.750000      0.416667     Uiso  0.900000 O
   O901       1.0     0.000000      0.000000      0.416667     Uiso  0.900000 O
   O902       1.0     0.500000      0.000000      0.416667     Uiso  0.900000 O
   O903       1.0     0.000000      0.500000      0.416667     Uiso  0.900000 O
   O904       1.0     0.500000      0.500000      0.416667     Uiso  0.900000 O
   O905       1.0     0.000000      0.250000      0.416667     Uiso  0.900000 O
   O906       1.0     0.500000      0.250000      0.416667     Uiso  0.900000 O
   O907       1.0     0.000000      0.750000      0.416667     Uiso  0.900000 O
   O908       1.0     0.500000      0.750000      0.416667     Uiso  0.900000 O
   O909       1.0     0.250000      0.000000      0.416667     Uiso  0.900000 O
   O910       1.0     0.750000      0.000000      0.416667     Uiso  0.900000 O
   O911       1.0     0.250000      0.500000      0.416667     Uiso  0.900000 O
   O912       1.0     0.750000      0.500000      0.416667     Uiso  0.900000 O
   SR913      1.0     0.250000      0.375000      0.516100     Uiso  0.900000 Sr
   SR914      1.0     0.750000      0.375000      0.516100     Uiso  0.900000 Sr
   SR915      1.0     0.250000      0.875000      0.516100     Uiso  0.900000 Sr
   SR916      1.0     0.750000      0.875000      0.516100     Uiso  0.900000 Sr
   SR917      1.0     0.250000      0.125000      0.567233     Uiso  0.900000 Sr
   SR918      1.0     0.750000      0.125000      0.567233     Uiso  0.900000 Sr
   SR919      1.0     0.250000      0.625000      0.567233     Uiso  0.900000 Sr
   SR920      1.0     0.750000      0.625000      0.567233     Uiso  0.900000 Sr
   CL921      1.0     0.250000      0.375000      0.563950     Uiso  0.900000 Cl
   CL922      1.0     0.750000      0.375000      0.563950     Uiso  0.900000 Cl
   CL923      1.0     0.250000      0.875000      0.563950     Uiso  0.900000 Cl
   CL924      1.0     0.750000      0.875000      0.563950     Uiso  0.900000 Cl
   CL925      1.0     0.000000      0.125000      0.563950     Uiso  0.900000 Cl
   CL926      1.0     0.500000      0.125000      0.563950     Uiso  0.900000 Cl
   CL927      1.0     0.000000      0.625000      0.563950     Uiso  0.900000 Cl
   CL928      1.0     0.500000      0.625000      0.563950     Uiso  0.900000 Cl
   CL929      1.0     0.250000      0.125000      0.519383     Uiso  0.900000 Cl
   CL930      1.0     0.750000      0.125000      0.519383     Uiso  0.900000 Cl
   CL931      1.0     0.250000      0.625000      0.519383     Uiso  0.900000 Cl
   CL932      1.0     0.750000      0.625000      0.519383     Uiso  0.900000 Cl
   CL933      1.0     0.000000      0.375000      0.519383     Uiso  0.900000 Cl
   CL934      1.0     0.500000      0.375000      0.519383     Uiso  0.900000 Cl
   CL935      1.0     0.000000      0.875000      0.519383     Uiso  0.900000 Cl
   CL936      1.0     0.500000      0.875000      0.519383     Uiso  0.900000 Cl
   CU937      1.0     0.250000      0.250000      0.541667     Uiso  0.900000 Cu
   CU938      1.0     0.750000      0.250000      0.541667     Uiso  0.900000 Cu
   CU939      1.0     0.250000      0.750000      0.541667     Uiso  0.900000 Cu
   CU940      1.0     0.750000      0.750000      0.541667     Uiso  0.900000 Cu
   CU941      1.0     0.000000      0.500000      0.541667     Uiso  0.900000 Cu
   CU942      1.0     0.500000      0.500000      0.541667     Uiso  0.900000 Cu
   CU943      1.0     0.250000      0.500000      0.541667     Uiso  0.900000 Cu
   CU944      1.0     0.750000      0.500000      0.541667     Uiso  0.900000 Cu
   CU945      1.0     0.000000      0.250000      0.541667     Uiso  0.900000 Cu
   CU946      1.0     0.500000      0.250000      0.541667     Uiso  0.900000 Cu
   CU947      1.0     0.000000      0.750000      0.541667     Uiso  0.900000 Cu
   CU948      1.0     0.500000      0.750000      0.541667     Uiso  0.900000 Cu
   CU949      1.0     0.375000      0.375000      0.541667     Uiso  0.900000 Cu
   CU950      1.0     0.875000      0.375000      0.541667     Uiso  0.900000 Cu
   CU951      1.0     0.375000      0.875000      0.541667     Uiso  0.900000 Cu
   CU952      1.0     0.875000      0.875000      0.541667     Uiso  0.900000 Cu
   CU953      1.0     0.125000      0.125000      0.541667     Uiso  0.900000 Cu
   CU954      1.0     0.625000      0.125000      0.541667     Uiso  0.900000 Cu
   CU955      1.0     0.125000      0.625000      0.541667     Uiso  0.900000 Cu
   CU956      1.0     0.625000      0.625000      0.541667     Uiso  0.900000 Cu
   CU957      1.0     0.125000      0.375000      0.541667     Uiso  0.900000 Cu
   CU958      1.0     0.625000      0.375000      0.541667     Uiso  0.900000 Cu
   CU959      1.0     0.125000      0.875000      0.541667     Uiso  0.900000 Cu
   CU960      1.0     0.625000      0.875000      0.541667     Uiso  0.900000 Cu
   CU961      1.0     0.375000      0.125000      0.541667     Uiso  0.900000 Cu
   CU962      1.0     0.875000      0.125000      0.541667     Uiso  0.900000 Cu
   CU963      1.0     0.375000      0.625000      0.541667     Uiso  0.900000 Cu
   CU964      1.0     0.875000      0.625000      0.541667     Uiso  0.900000 Cu
   O965       1.0     0.074000      0.051000      0.531092     Uiso  0.900000 O
   O966       1.0     0.574000      0.051000      0.531092     Uiso  0.900000 O
   O967       1.0     0.074000      0.551000      0.531092     Uiso  0.900000 O
   O968       1.0     0.574000      0.551000      0.531092     Uiso  0.900000 O
   O969       1.0     0.324000      0.301000      0.531092     Uiso  0.900000 O
   O970       1.0     0.824000      0.301000      0.531092     Uiso  0.900000 O
   O971       1.0     0.324000      0.801000      0.531092     Uiso  0.900000 O
   O972       1.0     0.824000      0.801000      0.531092     Uiso  0.900000 O
   O973       1.0     0.426000      0.199000      0.531092     Uiso  0.900000 O
   O974       1.0     0.926000      0.199000      0.531092     Uiso  0.900000 O
   O975       1.0     0.426000      0.699000      0.531092     Uiso  0.900000 O
   O976       1.0     0.926000      0.699000      0.531092     Uiso  0.900000 O
   O977       1.0     0.176000      0.449000      0.531092     Uiso  0.900000 O
   O978       1.0     0.676000      0.449000      0.531092     Uiso  0.900000 O
   O979       1.0     0.176000      0.949000      0.531092     Uiso  0.900000 O
   O980       1.0     0.676000      0.949000      0.531092     Uiso  0.900000 O
   O981       1.0     0.074000      0.449000      0.552242     Uiso  0.900000 O
   O982       1.0     0.574000      0.449000      0.552242     Uiso  0.900000 O
   O983       1.0     0.074000      0.949000      0.552242     Uiso  0.900000 O
   O984       1.0     0.574000      0.949000      0.552242     Uiso  0.900000 O
   O985       1.0     0.324000      0.199000      0.552242     Uiso  0.900000 O
   O986       1.0     0.824000      0.199000      0.552242     Uiso  0.900000 O
   O987       1.0     0.324000      0.699000      0.552242     Uiso  0.900000 O
   O988       1.0     0.824000      0.699000      0.552242     Uiso  0.900000 O
   O989       1.0     0.426000      0.301000      0.552242     Uiso  0.900000 O
   O990       1.0     0.926000      0.301000      0.552242     Uiso  0.900000 O
   O991       1.0     0.426000      0.801000      0.552242     Uiso  0.900000 O
   O992       1.0     0.926000      0.801000      0.552242     Uiso  0.900000 O
   O993       1.0     0.176000      0.051000      0.552242     Uiso  0.900000 O
   O994       1.0     0.676000      0.051000      0.552242     Uiso  0.900000 O
   O995       1.0     0.176000      0.551000      0.552242     Uiso  0.900000 O
   O996       1.0     0.676000      0.551000      0.552242     Uiso  0.900000 O
   O997       1.0     0.426000      0.449000      0.552242     Uiso  0.900000 O
   O998       1.0     0.926000      0.449000      0.552242     Uiso  0.900000 O
   O999       1.0     0.426000      0.949000      0.552242     Uiso  0.900000 O
   O1000      1.0     0.926000      0.949000      0.552242     Uiso  0.900000 O
   O1001      1.0     0.176000      0.199000      0.552242     Uiso  0.900000 O
   O1002      1.0     0.676000      0.199000      0.552242     Uiso  0.900000 O
   O1003      1.0     0.176000      0.699000      0.552242     Uiso  0.900000 O
   O1004      1.0     0.676000      0.699000      0.552242     Uiso  0.900000 O
   O1005      1.0     0.074000      0.301000      0.552242     Uiso  0.900000 O
   O1006      1.0     0.574000      0.301000      0.552242     Uiso  0.900000 O
   O1007      1.0     0.074000      0.801000      0.552242     Uiso  0.900000 O
   O1008      1.0     0.574000      0.801000      0.552242     Uiso  0.900000 O
   O1009      1.0     0.324000      0.051000      0.552242     Uiso  0.900000 O
   O1010      1.0     0.824000      0.051000      0.552242     Uiso  0.900000 O
   O1011      1.0     0.324000      0.551000      0.552242     Uiso  0.900000 O
   O1012      1.0     0.824000      0.551000      0.552242     Uiso  0.900000 O
   O1013      1.0     0.426000      0.051000      0.531092     Uiso  0.900000 O
   O1014      1.0     0.926000      0.051000      0.531092     Uiso  0.900000 O
   O1015      1.0     0.426000      0.551000      0.531092     Uiso  0.900000 O
   O1016      1.0     0.926000      0.551000      0.531092     Uiso  0.900000 O
   O1017      1.0     0.176000      0.301000      0.531092     Uiso  0.900000 O
   O1018      1.0     0.676000      0.301000      0.531092     Uiso  0.900000 O
   O1019      1.0     0.176000      0.801000      0.531092     Uiso  0.900000 O
   O1020      1.0     0.676000      0.801000      0.531092     Uiso  0.900000 O
   O1021      1.0     0.074000      0.199000      0.531092     Uiso  0.900000 O
   O1022      1.0     0.574000      0.199000      0.531092     Uiso  0.900000 O
   O1023      1.0     0.074000      0.699000      0.531092     Uiso  0.900000 O
   O1024      1.0     0.574000      0.699000      0.531092     Uiso  0.900000 O
   O1025      1.0     0.324000      0.449000      0.531092     Uiso  0.900000 O
   O1026      1.0     0.824000      0.449000      0.531092     Uiso  0.900000 O
   O1027      1.0     0.324000      0.949000      0.531092     Uiso  0.900000 O
   O1028      1.0     0.824000      0.949000      0.531092     Uiso  0.900000 O
   O1029      1.0     0.250000      0.250000      0.500000     Uiso  0.900000 O
   O1030      1.0     0.750000      0.250000      0.500000     Uiso  0.900000 O
   O1031      1.0     0.250000      0.750000      0.500000     Uiso  0.900000 O
   O1032      1.0     0.750000      0.750000      0.500000     Uiso  0.900000 O
   O1033      1.0     0.000000      0.500000      0.500000     Uiso  0.900000 O
   O1034      1.0     0.500000      0.500000      0.500000     Uiso  0.900000 O
   O1035      1.0     0.250000      0.500000      0.500000     Uiso  0.900000 O
   O1036      1.0     0.750000      0.500000      0.500000     Uiso  0.900000 O
   O1037      1.0     0.000000      0.250000      0.500000     Uiso  0.900000 O
   O1038      1.0     0.500000      0.250000      0.500000     Uiso  0.900000 O
   O1039      1.0     0.000000      0.750000      0.500000     Uiso  0.900000 O
   O1040      1.0     0.500000      0.750000      0.500000     Uiso  0.900000 O
   O1041      1.0     0.375000      0.375000      0.500000     Uiso  0.900000 O
   O1042      1.0     0.875000      0.375000      0.500000     Uiso  0.900000 O
   O1043      1.0     0.375000      0.875000      0.500000     Uiso  0.900000 O
   O1044      1.0     0.875000      0.875000      0.500000     Uiso  0.900000 O
   O1045      1.0     0.125000      0.125000      0.500000     Uiso  0.900000 O
   O1046      1.0     0.625000      0.125000      0.500000     Uiso  0.900000 O
   O1047      1.0     0.125000      0.625000      0.500000     Uiso  0.900000 O
   O1048      1.0     0.625000      0.625000      0.500000     Uiso  0.900000 O
   O1049      1.0     0.125000      0.375000      0.500000     Uiso  0.900000 O
   O1050      1.0     0.625000      0.375000      0.500000     Uiso  0.900000 O
   O1051      1.0     0.125000      0.875000      0.500000     Uiso  0.900000 O
   O1052      1.0     0.625000      0.875000      0.500000     Uiso  0.900000 O
   O1053      1.0     0.375000      0.125000      0.500000     Uiso  0.900000 O
   O1054      1.0     0.875000      0.125000      0.500000     Uiso  0.900000 O
   O1055      1.0     0.375000      0.625000      0.500000     Uiso  0.900000 O
   O1056      1.0     0.875000      0.625000      0.500000     Uiso  0.900000 O
   SR1057     1.0     0.375000      0.000000      0.599433     Uiso  0.900000 Sr
   SR1058     1.0     0.875000      0.000000      0.599433     Uiso  0.900000 Sr
   SR1059     1.0     0.375000      0.500000      0.599433     Uiso  0.900000 Sr
   SR1060     1.0     0.875000      0.500000      0.599433     Uiso  0.900000 Sr
   SR1061     1.0     0.125000      0.000000      0.650567     Uiso  0.900000 Sr
   SR1062     1.0     0.625000      0.000000      0.650567     Uiso  0.900000 Sr
   SR1063     1.0     0.125000      0.500000      0.650567     Uiso  0.900000 Sr
   SR1064     1.0     0.625000      0.500000      0.650567     Uiso  0.900000 Sr
   CL1065     1.0     0.375000      0.000000      0.647283     Uiso  0.900000 Cl
   CL1066     1.0     0.875000      0.000000      0.647283     Uiso  0.900000 Cl
   CL1067     1.0     0.375000      0.500000      0.647283     Uiso  0.900000 Cl
   CL1068     1.0     0.875000      0.500000      0.647283     Uiso  0.900000 Cl
   CL1069     1.0     0.125000      0.250000      0.647283     Uiso  0.900000 Cl
   CL1070     1.0     0.625000      0.250000      0.647283     Uiso  0.900000 Cl
   CL1071     1.0     0.125000      0.750000      0.647283     Uiso  0.900000 Cl
   CL1072     1.0     0.625000      0.750000      0.647283     Uiso  0.900000 Cl
   CL1073     1.0     0.375000      0.250000      0.602717     Uiso  0.900000 Cl
   CL1074     1.0     0.875000      0.250000      0.602717     Uiso  0.900000 Cl
   CL1075     1.0     0.375000      0.750000      0.602717     Uiso  0.900000 Cl
   CL1076     1.0     0.875000      0.750000      0.602717     Uiso  0.900000 Cl
   CL1077     1.0     0.125000      0.000000      0.602717     Uiso  0.900000 Cl
   CL1078     1.0     0.625000      0.000000      0.602717     Uiso  0.900000 Cl
   CL1079     1.0     0.125000      0.500000      0.602717     Uiso  0.900000 Cl
   CL1080     1.0     0.625000      0.500000      0.602717     Uiso  0.900000 Cl
   CU1081     1.0     0.375000      0.375000      0.625000     Uiso  0.900000 Cu
   CU1082     1.0     0.875000      0.375000      0.625000     Uiso  0.900000 Cu
   CU1083     1.0     0.375000      0.875000      0.625000     Uiso  0.900000 Cu
   CU1084     1.0     0.875000      0.875000      0.625000     Uiso  0.900000 Cu
   CU1085     1.0     0.125000      0.125000      0.625000     Uiso  0.900000 Cu
   CU1086     1.0     0.625000      0.125000      0.625000     Uiso  0.900000 Cu
   CU1087     1.0     0.125000      0.625000      0.625000     Uiso  0.900000 Cu
   CU1088     1.0     0.625000      0.625000      0.625000     Uiso  0.900000 Cu
   CU1089     1.0     0.375000      0.125000      0.625000     Uiso  0.900000 Cu
   CU1090     1.0     0.875000      0.125000      0.625000     Uiso  0.900000 Cu
   CU1091     1.0     0.375000      0.625000      0.625000     Uiso  0.900000 Cu
   CU1092     1.0     0.875000      0.625000      0.625000     Uiso  0.900000 Cu
   CU1093     1.0     0.125000      0.375000      0.625000     Uiso  0.900000 Cu
   CU1094     1.0     0.625000      0.375000      0.625000     Uiso  0.900000 Cu
   CU1095     1.0     0.125000      0.875000      0.625000     Uiso  0.900000 Cu
   CU1096     1.0     0.625000      0.875000      0.625000     Uiso  0.900000 Cu
   CU1097     1.0     0.000000      0.000000      0.625000     Uiso  0.900000 Cu
   CU1098     1.0     0.500000      0.000000      0.625000     Uiso  0.900000 Cu
   CU1099     1.0     0.000000      0.500000      0.625000     Uiso  0.900000 Cu
   CU1100     1.0     0.500000      0.500000      0.625000     Uiso  0.900000 Cu
   CU1101     1.0     0.250000      0.250000      0.625000     Uiso  0.900000 Cu
   CU1102     1.0     0.750000      0.250000      0.625000     Uiso  0.900000 Cu
   CU1103     1.0     0.250000      0.750000      0.625000     Uiso  0.900000 Cu
   CU1104     1.0     0.750000      0.750000      0.625000     Uiso  0.900000 Cu
   CU1105     1.0     0.250000      0.000000      0.625000     Uiso  0.900000 Cu
   CU1106     1.0     0.750000      0.000000      0.625000     Uiso  0.900000 Cu
   CU1107     1.0     0.250000      0.500000      0.625000     Uiso  0.900000 Cu
   CU1108     1.0     0.750000      0.500000      0.625000     Uiso  0.900000 Cu
   CU1109     1.0     0.000000      0.250000      0.625000     Uiso  0.900000 Cu
   CU1110     1.0     0.500000      0.250000      0.625000     Uiso  0.900000 Cu
   CU1111     1.0     0.000000      0.750000      0.625000     Uiso  0.900000 Cu
   CU1112     1.0     0.500000      0.750000      0.625000     Uiso  0.900000 Cu
   O1113      1.0     0.199000      0.176000      0.614425     Uiso  0.900000 O
   O1114      1.0     0.699000      0.176000      0.614425     Uiso  0.900000 O
   O1115      1.0     0.199000      0.676000      0.614425     Uiso  0.900000 O
   O1116      1.0     0.699000      0.676000      0.614425     Uiso  0.900000 O
   O1117      1.0     0.449000      0.426000      0.614425     Uiso  0.900000 O
   O1118      1.0     0.949000      0.426000      0.614425     Uiso  0.900000 O
   O1119      1.0     0.449000      0.926000      0.614425     Uiso  0.900000 O
   O1120      1.0     0.949000      0.926000      0.614425     Uiso  0.900000 O
   O1121      1.0     0.051000      0.324000      0.614425     Uiso  0.900000 O
   O1122      1.0     0.551000      0.324000      0.614425     Uiso  0.900000 O
   O1123      1.0     0.051000      0.824000      0.614425     Uiso  0.900000 O
   O1124      1.0     0.551000      0.824000      0.614425     Uiso  0.900000 O
   O1125      1.0     0.301000      0.074000      0.614425     Uiso  0.900000 O
   O1126      1.0     0.801000      0.074000      0.614425     Uiso  0.900000 O
   O1127      1.0     0.301000      0.574000      0.614425     Uiso  0.900000 O
   O1128      1.0     0.801000      0.574000      0.614425     Uiso  0.900000 O
   O1129      1.0     0.199000      0.074000      0.635575     Uiso  0.900000 O
   O1130      1.0     0.699000      0.074000      0.635575     Uiso  0.900000 O
   O1131      1.0     0.199000      0.574000      0.635575     Uiso  0.900000 O
   O1132      1.0     0.699000      0.574000      0.635575     Uiso  0.900000 O
   O1133      1.0     0.449000      0.324000      0.635575     Uiso  0.900000 O
   O1134      1.0     0.949000      0.324000      0.635575     Uiso  0.900000 O
   O1135      1.0     0.449000      0.824000      0.635575     Uiso  0.900000 O
   O1136      1.0     0.949000      0.824000      0.635575     Uiso  0.900000 O
   O1137      1.0     0.051000      0.426000      0.635575     Uiso  0.900000 O
   O1138      1.0     0.551000      0.426000      0.635575     Uiso  0.900000 O
   O1139      1.0     0.051000      0.926000      0.635575     Uiso  0.900000 O
   O1140      1.0     0.551000      0.926000      0.635575     Uiso  0.900000 O
   O1141      1.0     0.301000      0.176000      0.635575     Uiso  0.900000 O
   O1142      1.0     0.801000      0.176000      0.635575     Uiso  0.900000 O
   O1143      1.0     0.301000      0.676000      0.635575     Uiso  0.900000 O
   O1144      1.0     0.801000      0.676000      0.635575     Uiso  0.900000 O
   O1145      1.0     0.051000      0.074000      0.635575     Uiso  0.900000 O
   O1146      1.0     0.551000      0.074000      0.635575     Uiso  0.900000 O
   O1147      1.0     0.051000      0.574000      0.635575     Uiso  0.900000 O
   O1148      1.0     0.551000      0.574000      0.635575     Uiso  0.900000 O
   O1149      1.0     0.301000      0.324000      0.635575     Uiso  0.900000 O
   O1150      1.0     0.801000      0.324000      0.635575     Uiso  0.900000 O
   O1151      1.0     0.301000      0.824000      0.635575     Uiso  0.900000 O
   O1152      1.0     0.801000      0.824000      0.635575     Uiso  0.900000 O
   O1153      1.0     0.199000      0.426000      0.635575     Uiso  0.900000 O
   O1154      1.0     0.699000      0.426000      0.635575     Uiso  0.900000 O
   O1155      1.0     0.199000      0.926000      0.635575     Uiso  0.900000 O
   O1156      1.0     0.699000      0.926000      0.635575     Uiso  0.900000 O
   O1157      1.0     0.449000      0.176000      0.635575     Uiso  0.900000 O
   O1158      1.0     0.949000      0.176000      0.635575     Uiso  0.900000 O
   O1159      1.0     0.449000      0.676000      0.635575     Uiso  0.900000 O
   O1160      1.0     0.949000      0.676000      0.635575     Uiso  0.900000 O
   O1161      1.0     0.051000      0.176000      0.614425     Uiso  0.900000 O
   O1162      1.0     0.551000      0.176000      0.614425     Uiso  0.900000 O
   O1163      1.0     0.051000      0.676000      0.614425     Uiso  0.900000 O
   O1164      1.0     0.551000      0.676000      0.614425     Uiso  0.900000 O
   O1165      1.0     0.301000      0.426000      0.614425     Uiso  0.900000 O
   O1166      1.0     0.801000      0.426000      0.614425     Uiso  0.900000 O
   O1167      1.0     0.301000      0.926000      0.614425     Uiso  0.900000 O
   O1168      1.0     0.801000      0.926000      0.614425     Uiso  0.900000 O
   O1169      1.0     0.199000      0.324000      0.614425     Uiso  0.900000 O
   O1170      1.0     0.699000      0.324000      0.614425     Uiso  0.900000 O
   O1171      1.0     0.199000      0.824000      0.614425     Uiso  0.900000 O
   O1172      1.0     0.699000      0.824000      0.614425     Uiso  0.900000 O
   O1173      1.0     0.449000      0.074000      0.614425     Uiso  0.900000 O
   O1174      1.0     0.949000      0.074000      0.614425     Uiso  0.900000 O
   O1175      1.0     0.449000      0.574000      0.614425     Uiso  0.900000 O
   O1176      1.0     0.949000      0.574000      0.614425     Uiso  0.900000 O
   O1177      1.0     0.375000      0.375000      0.583333     Uiso  0.900000 O
   O1178      1.0     0.875000      0.375000      0.583333     Uiso  0.900000 O
   O1179      1.0     0.375000      0.875000      0.583333     Uiso  0.900000 O
   O1180      1.0     0.875000      0.875000      0.583333     Uiso  0.900000 O
   O1181      1.0     0.125000      0.125000      0.583333     Uiso  0.900000 O
   O1182      1.0     0.625000      0.125000      0.583333     Uiso  0.900000 O
   O1183      1.0     0.125000      0.625000      0.583333     Uiso  0.900000 O
   O1184      1.0     0.625000      0.625000      0.583333     Uiso  0.900000 O
   O1185      1.0     0.375000      0.125000      0.583333     Uiso  0.900000 O
   O1186      1.0     0.875000      0.125000      0.583333     Uiso  0.900000 O
   O1187      1.0     0.375000      0.625000      0.583333     Uiso  0.900000 O
   O1188      1.0     0.875000      0.625000      0.583333     Uiso  0.900000 O
   O1189      1.0     0.125000      0.375000      0.583333     Uiso  0.900000 O
   O1190      1.0     0.625000      0.375000      0.583333     Uiso  0.900000 O
   O1191      1.0     0.125000      0.875000      0.583333     Uiso  0.900000 O
   O1192      1.0     0.625000      0.875000      0.583333     Uiso  0.900000 O
   O1193      1.0     0.000000      0.000000      0.583333     Uiso  0.900000 O
   O1194      1.0     0.500000      0.000000      0.583333     Uiso  0.900000 O
   O1195      1.0     0.000000      0.500000      0.583333     Uiso  0.900000 O
   O1196      1.0     0.500000      0.500000      0.583333     Uiso  0.900000 O
   O1197      1.0     0.250000      0.250000      0.583333     Uiso  0.900000 O
   O1198      1.0     0.750000      0.250000      0.583333     Uiso  0.900000 O
   O1199      1.0     0.250000      0.750000      0.583333     Uiso  0.900000 O
   O1200      1.0     0.750000      0.750000      0.583333     Uiso  0.900000 O
   O1201      1.0     0.250000      0.000000      0.583333     Uiso  0.900000 O
   O1202      1.0     0.750000      0.000000      0.583333     Uiso  0.900000 O
   O1203      1.0     0.250000      0.500000      0.583333     Uiso  0.900000 O
   O1204      1.0     0.750000      0.500000      0.583333     Uiso  0.900000 O
   O1205      1.0     0.000000      0.250000      0.583333     Uiso  0.900000 O
   O1206      1.0     0.500000      0.250000      0.583333     Uiso  0.900000 O
   O1207      1.0     0.000000      0.750000      0.583333     Uiso  0.900000 O
   O1208      1.0     0.500000      0.750000      0.583333     Uiso  0.900000 O
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   SR1211     1.0     0.000000      0.625000      0.682767     Uiso  0.900000 Sr
   SR1212     1.0     0.500000      0.625000      0.682767     Uiso  0.900000 Sr
   SR1213     1.0     0.250000      0.125000      0.733900     Uiso  0.900000 Sr
   SR1214     1.0     0.750000      0.125000      0.733900     Uiso  0.900000 Sr
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   CL1221     1.0     0.250000      0.375000      0.730617     Uiso  0.900000 Cl
   CL1222     1.0     0.750000      0.375000      0.730617     Uiso  0.900000 Cl
   CL1223     1.0     0.250000      0.875000      0.730617     Uiso  0.900000 Cl
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   CL1228     1.0     0.500000      0.875000      0.686050     Uiso  0.900000 Cl
   CL1229     1.0     0.250000      0.125000      0.686050     Uiso  0.900000 Cl
   CL1230     1.0     0.750000      0.125000      0.686050     Uiso  0.900000 Cl
   CL1231     1.0     0.250000      0.625000      0.686050     Uiso  0.900000 Cl
   CL1232     1.0     0.750000      0.625000      0.686050     Uiso  0.900000 Cl
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   CU1234     1.0     0.500000      0.000000      0.708333     Uiso  0.900000 Cu
   CU1235     1.0     0.000000      0.500000      0.708333     Uiso  0.900000 Cu
   CU1236     1.0     0.500000      0.500000      0.708333     Uiso  0.900000 Cu
   CU1237     1.0     0.250000      0.250000      0.708333     Uiso  0.900000 Cu
   CU1238     1.0     0.750000      0.250000      0.708333     Uiso  0.900000 Cu
   CU1239     1.0     0.250000      0.750000      0.708333     Uiso  0.900000 Cu
   CU1240     1.0     0.750000      0.750000      0.708333     Uiso  0.900000 Cu
   CU1241     1.0     0.000000      0.250000      0.708333     Uiso  0.900000 Cu
   CU1242     1.0     0.500000      0.250000      0.708333     Uiso  0.900000 Cu
   CU1243     1.0     0.000000      0.750000      0.708333     Uiso  0.900000 Cu
   CU1244     1.0     0.500000      0.750000      0.708333     Uiso  0.900000 Cu
   CU1245     1.0     0.250000      0.000000      0.708333     Uiso  0.900000 Cu
   CU1246     1.0     0.750000      0.000000      0.708333     Uiso  0.900000 Cu
   CU1247     1.0     0.250000      0.500000      0.708333     Uiso  0.900000 Cu
   CU1248     1.0     0.750000      0.500000      0.708333     Uiso  0.900000 Cu
   CU1249     1.0     0.125000      0.125000      0.708333     Uiso  0.900000 Cu
   CU1250     1.0     0.625000      0.125000      0.708333     Uiso  0.900000 Cu
   CU1251     1.0     0.125000      0.625000      0.708333     Uiso  0.900000 Cu
   CU1252     1.0     0.625000      0.625000      0.708333     Uiso  0.900000 Cu
   CU1253     1.0     0.375000      0.375000      0.708333     Uiso  0.900000 Cu
   CU1254     1.0     0.875000      0.375000      0.708333     Uiso  0.900000 Cu
   CU1255     1.0     0.375000      0.875000      0.708333     Uiso  0.900000 Cu
   CU1256     1.0     0.875000      0.875000      0.708333     Uiso  0.900000 Cu
   CU1257     1.0     0.375000      0.125000      0.708333     Uiso  0.900000 Cu
   CU1258     1.0     0.875000      0.125000      0.708333     Uiso  0.900000 Cu
   CU1259     1.0     0.375000      0.625000      0.708333     Uiso  0.900000 Cu
   CU1260     1.0     0.875000      0.625000      0.708333     Uiso  0.900000 Cu
   CU1261     1.0     0.125000      0.375000      0.708333     Uiso  0.900000 Cu
   CU1262     1.0     0.625000      0.375000      0.708333     Uiso  0.900000 Cu
   CU1263     1.0     0.125000      0.875000      0.708333     Uiso  0.900000 Cu
   CU1264     1.0     0.625000      0.875000      0.708333     Uiso  0.900000 Cu
   O1265      1.0     0.324000      0.301000      0.697758     Uiso  0.900000 O
   O1266      1.0     0.824000      0.301000      0.697758     Uiso  0.900000 O
   O1267      1.0     0.324000      0.801000      0.697758     Uiso  0.900000 O
   O1268      1.0     0.824000      0.801000      0.697758     Uiso  0.900000 O
   O1269      1.0     0.074000      0.051000      0.697758     Uiso  0.900000 O
   O1270      1.0     0.574000      0.051000      0.697758     Uiso  0.900000 O
   O1271      1.0     0.074000      0.551000      0.697758     Uiso  0.900000 O
   O1272      1.0     0.574000      0.551000      0.697758     Uiso  0.900000 O
   O1273      1.0     0.176000      0.449000      0.697758     Uiso  0.900000 O
   O1274      1.0     0.676000      0.449000      0.697758     Uiso  0.900000 O
   O1275      1.0     0.176000      0.949000      0.697758     Uiso  0.900000 O
   O1276      1.0     0.676000      0.949000      0.697758     Uiso  0.900000 O
   O1277      1.0     0.426000      0.199000      0.697758     Uiso  0.900000 O
   O1278      1.0     0.926000      0.199000      0.697758     Uiso  0.900000 O
   O1279      1.0     0.426000      0.699000      0.697758     Uiso  0.900000 O
   O1280      1.0     0.926000      0.699000      0.697758     Uiso  0.900000 O
   O1281      1.0     0.324000      0.199000      0.718908     Uiso  0.900000 O
   O1282      1.0     0.824000      0.199000      0.718908     Uiso  0.900000 O
   O1283      1.0     0.324000      0.699000      0.718908     Uiso  0.900000 O
   O1284      1.0     0.824000      0.699000      0.718908     Uiso  0.900000 O
   O1285      1.0     0.074000      0.449000      0.718908     Uiso  0.900000 O
   O1286      1.0     0.574000      0.449000      0.718908     Uiso  0.900000 O
   O1287      1.0     0.074000      0.949000      0.718908     Uiso  0.900000 O
   O1288      1.0     0.574000      0.949000      0.718908     Uiso  0.900000 O
   O1289      1.0     0.176000      0.051000      0.718908     Uiso  0.900000 O
   O1290      1.0     0.676000      0.051000      0.718908     Uiso  0.900000 O
   O1291      1.0     0.176000      0.551000      0.718908     Uiso  0.900000 O
   O1292      1.0     0.676000      0.551000      0.718908     Uiso  0.900000 O
   O1293      1.0     0.426000      0.301000      0.718908     Uiso  0.900000 O
   O1294      1.0     0.926000      0.301000      0.718908     Uiso  0.900000 O
   O1295      1.0     0.426000      0.801000      0.718908     Uiso  0.900000 O
   O1296      1.0     0.926000      0.801000      0.718908     Uiso  0.900000 O
   O1297      1.0     0.176000      0.199000      0.718908     Uiso  0.900000 O
   O1298      1.0     0.676000      0.199000      0.718908     Uiso  0.900000 O
   O1299      1.0     0.176000      0.699000      0.718908     Uiso  0.900000 O
   O1300      1.0     0.676000      0.699000      0.718908     Uiso  0.900000 O
   O1301      1.0     0.426000      0.449000      0.718908     Uiso  0.900000 O
   O1302      1.0     0.926000      0.449000      0.718908     Uiso  0.900000 O
   O1303      1.0     0.426000      0.949000      0.718908     Uiso  0.900000 O
   O1304      1.0     0.926000      0.949000      0.718908     Uiso  0.900000 O
   O1305      1.0     0.324000      0.051000      0.718908     Uiso  0.900000 O
   O1306      1.0     0.824000      0.051000      0.718908     Uiso  0.900000 O
   O1307      1.0     0.324000      0.551000      0.718908     Uiso  0.900000 O
   O1308      1.0     0.824000      0.551000      0.718908     Uiso  0.900000 O
   O1309      1.0     0.074000      0.301000      0.718908     Uiso  0.900000 O
   O1310      1.0     0.574000      0.301000      0.718908     Uiso  0.900000 O
   O1311      1.0     0.074000      0.801000      0.718908     Uiso  0.900000 O
   O1312      1.0     0.574000      0.801000      0.718908     Uiso  0.900000 O
   O1313      1.0     0.176000      0.301000      0.697758     Uiso  0.900000 O
   O1314      1.0     0.676000      0.301000      0.697758     Uiso  0.900000 O
   O1315      1.0     0.176000      0.801000      0.697758     Uiso  0.900000 O
   O1316      1.0     0.676000      0.801000      0.697758     Uiso  0.900000 O
   O1317      1.0     0.426000      0.051000      0.697758     Uiso  0.900000 O
   O1318      1.0     0.926000      0.051000      0.697758     Uiso  0.900000 O
   O1319      1.0     0.426000      0.551000      0.697758     Uiso  0.900000 O
   O1320      1.0     0.926000      0.551000      0.697758     Uiso  0.900000 O
   O1321      1.0     0.324000      0.449000      0.697758     Uiso  0.900000 O
   O1322      1.0     0.824000      0.449000      0.697758     Uiso  0.900000 O
   O1323      1.0     0.324000      0.949000      0.697758     Uiso  0.900000 O
   O1324      1.0     0.824000      0.949000      0.697758     Uiso  0.900000 O
   O1325      1.0     0.074000      0.199000      0.697758     Uiso  0.900000 O
   O1326      1.0     0.574000      0.199000      0.697758     Uiso  0.900000 O
   O1327      1.0     0.074000      0.699000      0.697758     Uiso  0.900000 O
   O1328      1.0     0.574000      0.699000      0.697758     Uiso  0.900000 O
   O1329      1.0     0.000000      0.000000      0.666667     Uiso  0.900000 O
   O1330      1.0     0.500000      0.000000      0.666667     Uiso  0.900000 O
   O1331      1.0     0.000000      0.500000      0.666667     Uiso  0.900000 O
   O1332      1.0     0.500000      0.500000      0.666667     Uiso  0.900000 O
   O1333      1.0     0.250000      0.250000      0.666667     Uiso  0.900000 O
   O1334      1.0     0.750000      0.250000      0.666667     Uiso  0.900000 O
   O1335      1.0     0.250000      0.750000      0.666667     Uiso  0.900000 O
   O1336      1.0     0.750000      0.750000      0.666667     Uiso  0.900000 O
   O1337      1.0     0.000000      0.250000      0.666667     Uiso  0.900000 O
   O1338      1.0     0.500000      0.250000      0.666667     Uiso  0.900000 O
   O1339      1.0     0.000000      0.750000      0.666667     Uiso  0.900000 O
   O1340      1.0     0.500000      0.750000      0.666667     Uiso  0.900000 O
   O1341      1.0     0.250000      0.000000      0.666667     Uiso  0.900000 O
   O1342      1.0     0.750000      0.000000      0.666667     Uiso  0.900000 O
   O1343      1.0     0.250000      0.500000      0.666667     Uiso  0.900000 O
   O1344      1.0     0.750000      0.500000      0.666667     Uiso  0.900000 O
   O1345      1.0     0.125000      0.125000      0.666667     Uiso  0.900000 O
   O1346      1.0     0.625000      0.125000      0.666667     Uiso  0.900000 O
   O1347      1.0     0.125000      0.625000      0.666667     Uiso  0.900000 O
   O1348      1.0     0.625000      0.625000      0.666667     Uiso  0.900000 O
   O1349      1.0     0.375000      0.375000      0.666667     Uiso  0.900000 O
   O1350      1.0     0.875000      0.375000      0.666667     Uiso  0.900000 O
   O1351      1.0     0.375000      0.875000      0.666667     Uiso  0.900000 O
   O1352      1.0     0.875000      0.875000      0.666667     Uiso  0.900000 O
   O1353      1.0     0.375000      0.125000      0.666667     Uiso  0.900000 O
   O1354      1.0     0.875000      0.125000      0.666667     Uiso  0.900000 O
   O1355      1.0     0.375000      0.625000      0.666667     Uiso  0.900000 O
   O1356      1.0     0.875000      0.625000      0.666667     Uiso  0.900000 O
   O1357      1.0     0.125000      0.375000      0.666667     Uiso  0.900000 O
   O1358      1.0     0.625000      0.375000      0.666667     Uiso  0.900000 O
   O1359      1.0     0.125000      0.875000      0.666667     Uiso  0.900000 O
   O1360      1.0     0.625000      0.875000      0.666667     Uiso  0.900000 O
   SR1361     1.0     0.125000      0.250000      0.766100     Uiso  0.900000 Sr
   SR1362     1.0     0.625000      0.250000      0.766100     Uiso  0.900000 Sr
   SR1363     1.0     0.125000      0.750000      0.766100     Uiso  0.900000 Sr
   SR1364     1.0     0.625000      0.750000      0.766100     Uiso  0.900000 Sr
   SR1365     1.0     0.375000      0.250000      0.817233     Uiso  0.900000 Sr
   SR1366     1.0     0.875000      0.250000      0.817233     Uiso  0.900000 Sr
   SR1367     1.0     0.375000      0.750000      0.817233     Uiso  0.900000 Sr
   SR1368     1.0     0.875000      0.750000      0.817233     Uiso  0.900000 Sr
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   CL1370     1.0     0.625000      0.250000      0.813950     Uiso  0.900000 Cl
   CL1371     1.0     0.125000      0.750000      0.813950     Uiso  0.900000 Cl
   CL1372     1.0     0.625000      0.750000      0.813950     Uiso  0.900000 Cl
   CL1373     1.0     0.375000      0.000000      0.813950     Uiso  0.900000 Cl
   CL1374     1.0     0.875000      0.000000      0.813950     Uiso  0.900000 Cl
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   CL1376     1.0     0.875000      0.500000      0.813950     Uiso  0.900000 Cl
   CL1377     1.0     0.125000      0.000000      0.769383     Uiso  0.900000 Cl
   CL1378     1.0     0.625000      0.000000      0.769383     Uiso  0.900000 Cl
   CL1379     1.0     0.125000      0.500000      0.769383     Uiso  0.900000 Cl
   CL1380     1.0     0.625000      0.500000      0.769383     Uiso  0.900000 Cl
   CL1381     1.0     0.375000      0.250000      0.769383     Uiso  0.900000 Cl
   CL1382     1.0     0.875000      0.250000      0.769383     Uiso  0.900000 Cl
   CL1383     1.0     0.375000      0.750000      0.769383     Uiso  0.900000 Cl
   CL1384     1.0     0.875000      0.750000      0.769383     Uiso  0.900000 Cl
   CU1385     1.0     0.125000      0.125000      0.791667     Uiso  0.900000 Cu
   CU1386     1.0     0.625000      0.125000      0.791667     Uiso  0.900000 Cu
   CU1387     1.0     0.125000      0.625000      0.791667     Uiso  0.900000 Cu
   CU1388     1.0     0.625000      0.625000      0.791667     Uiso  0.900000 Cu
   CU1389     1.0     0.375000      0.375000      0.791667     Uiso  0.900000 Cu
   CU1390     1.0     0.875000      0.375000      0.791667     Uiso  0.900000 Cu
   CU1391     1.0     0.375000      0.875000      0.791667     Uiso  0.900000 Cu
   CU1392     1.0     0.875000      0.875000      0.791667     Uiso  0.900000 Cu
   CU1393     1.0     0.125000      0.375000      0.791667     Uiso  0.900000 Cu
   CU1394     1.0     0.625000      0.375000      0.791667     Uiso  0.900000 Cu
   CU1395     1.0     0.125000      0.875000      0.791667     Uiso  0.900000 Cu
   CU1396     1.0     0.625000      0.875000      0.791667     Uiso  0.900000 Cu
   CU1397     1.0     0.375000      0.125000      0.791667     Uiso  0.900000 Cu
   CU1398     1.0     0.875000      0.125000      0.791667     Uiso  0.900000 Cu
   CU1399     1.0     0.375000      0.625000      0.791667     Uiso  0.900000 Cu
   CU1400     1.0     0.875000      0.625000      0.791667     Uiso  0.900000 Cu
   CU1401     1.0     0.250000      0.250000      0.791667     Uiso  0.900000 Cu
   CU1402     1.0     0.750000      0.250000      0.791667     Uiso  0.900000 Cu
   CU1403     1.0     0.250000      0.750000      0.791667     Uiso  0.900000 Cu
   CU1404     1.0     0.750000      0.750000      0.791667     Uiso  0.900000 Cu
   CU1405     1.0     0.000000      0.000000      0.791667     Uiso  0.900000 Cu
   CU1406     1.0     0.500000      0.000000      0.791667     Uiso  0.900000 Cu
   CU1407     1.0     0.000000      0.500000      0.791667     Uiso  0.900000 Cu
   CU1408     1.0     0.500000      0.500000      0.791667     Uiso  0.900000 Cu
   CU1409     1.0     0.000000      0.250000      0.791667     Uiso  0.900000 Cu
   CU1410     1.0     0.500000      0.250000      0.791667     Uiso  0.900000 Cu
   CU1411     1.0     0.000000      0.750000      0.791667     Uiso  0.900000 Cu
   CU1412     1.0     0.500000      0.750000      0.791667     Uiso  0.900000 Cu
   CU1413     1.0     0.250000      0.000000      0.791667     Uiso  0.900000 Cu
   CU1414     1.0     0.750000      0.000000      0.791667     Uiso  0.900000 Cu
   CU1415     1.0     0.250000      0.500000      0.791667     Uiso  0.900000 Cu
   CU1416     1.0     0.750000      0.500000      0.791667     Uiso  0.900000 Cu
   O1417      1.0     0.449000      0.426000      0.781092     Uiso  0.900000 O
   O1418      1.0     0.949000      0.426000      0.781092     Uiso  0.900000 O
   O1419      1.0     0.449000      0.926000      0.781092     Uiso  0.900000 O
   O1420      1.0     0.949000      0.926000      0.781092     Uiso  0.900000 O
   O1421      1.0     0.199000      0.176000      0.781092     Uiso  0.900000 O
   O1422      1.0     0.699000      0.176000      0.781092     Uiso  0.900000 O
   O1423      1.0     0.199000      0.676000      0.781092     Uiso  0.900000 O
   O1424      1.0     0.699000      0.676000      0.781092     Uiso  0.900000 O
   O1425      1.0     0.301000      0.074000      0.781092     Uiso  0.900000 O
   O1426      1.0     0.801000      0.074000      0.781092     Uiso  0.900000 O
   O1427      1.0     0.301000      0.574000      0.781092     Uiso  0.900000 O
   O1428      1.0     0.801000      0.574000      0.781092     Uiso  0.900000 O
   O1429      1.0     0.051000      0.324000      0.781092     Uiso  0.900000 O
   O1430      1.0     0.551000      0.324000      0.781092     Uiso  0.900000 O
   O1431      1.0     0.051000      0.824000      0.781092     Uiso  0.900000 O
   O1432      1.0     0.551000      0.824000      0.781092     Uiso  0.900000 O
   O1433      1.0     0.449000      0.324000      0.802242     Uiso  0.900000 O
   O1434      1.0     0.949000      0.324000      0.802242     Uiso  0.900000 O
   O1435      1.0     0.449000      0.824000      0.802242     Uiso  0.900000 O
   O1436      1.0     0.949000      0.824000      0.802242     Uiso  0.900000 O
   O1437      1.0     0.199000      0.074000      0.802242     Uiso  0.900000 O
   O1438      1.0     0.699000      0.074000      0.802242     Uiso  0.900000 O
   O1439      1.0     0.199000      0.574000      0.802242     Uiso  0.900000 O
   O1440      1.0     0.699000      0.574000      0.802242     Uiso  0.900000 O
   O1441      1.0     0.301000      0.176000      0.802242     Uiso  0.900000 O
   O1442      1.0     0.801000      0.176000      0.802242     Uiso  0.900000 O
   O1443      1.0     0.301000      0.676000      0.802242     Uiso  0.900000 O
   O1444      1.0     0.801000      0.676000      0.802242     Uiso  0.900000 O
   O1445      1.0     0.051000      0.426000      0.802242     Uiso  0.900000 O
   O1446      1.0     0.551000      0.426000      0.802242     Uiso  0.900000 O
   O1447      1.0     0.051000      0.926000      0.802242     Uiso  0.900000 O
   O1448      1.0     0.551000      0.926000      0.802242     Uiso  0.900000 O
   O1449      1.0     0.301000      0.324000      0.802242     Uiso  0.900000 O
   O1450      1.0     0.801000      0.324000      0.802242     Uiso  0.900000 O
   O1451      1.0     0.301000      0.824000      0.802242     Uiso  0.900000 O
   O1452      1.0     0.801000      0.824000      0.802242     Uiso  0.900000 O
   O1453      1.0     0.051000      0.074000      0.802242     Uiso  0.900000 O
   O1454      1.0     0.551000      0.074000      0.802242     Uiso  0.900000 O
   O1455      1.0     0.051000      0.574000      0.802242     Uiso  0.900000 O
   O1456      1.0     0.551000      0.574000      0.802242     Uiso  0.900000 O
   O1457      1.0     0.449000      0.176000      0.802242     Uiso  0.900000 O
   O1458      1.0     0.949000      0.176000      0.802242     Uiso  0.900000 O
   O1459      1.0     0.449000      0.676000      0.802242     Uiso  0.900000 O
   O1460      1.0     0.949000      0.676000      0.802242     Uiso  0.900000 O
   O1461      1.0     0.199000      0.426000      0.802242     Uiso  0.900000 O
   O1462      1.0     0.699000      0.426000      0.802242     Uiso  0.900000 O
   O1463      1.0     0.199000      0.926000      0.802242     Uiso  0.900000 O
   O1464      1.0     0.699000      0.926000      0.802242     Uiso  0.900000 O
   O1465      1.0     0.301000      0.426000      0.781092     Uiso  0.900000 O
   O1466      1.0     0.801000      0.426000      0.781092     Uiso  0.900000 O
   O1467      1.0     0.301000      0.926000      0.781092     Uiso  0.900000 O
   O1468      1.0     0.801000      0.926000      0.781092     Uiso  0.900000 O
   O1469      1.0     0.051000      0.176000      0.781092     Uiso  0.900000 O
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   O1471      1.0     0.051000      0.676000      0.781092     Uiso  0.900000 O
   O1472      1.0     0.551000      0.676000      0.781092     Uiso  0.900000 O
   O1473      1.0     0.449000      0.074000      0.781092     Uiso  0.900000 O
   O1474      1.0     0.949000      0.074000      0.781092     Uiso  0.900000 O
   O1475      1.0     0.449000      0.574000      0.781092     Uiso  0.900000 O
   O1476      1.0     0.949000      0.574000      0.781092     Uiso  0.900000 O
   O1477      1.0     0.199000      0.324000      0.781092     Uiso  0.900000 O
   O1478      1.0     0.699000      0.324000      0.781092     Uiso  0.900000 O
   O1479      1.0     0.199000      0.824000      0.781092     Uiso  0.900000 O
   O1480      1.0     0.699000      0.824000      0.781092     Uiso  0.900000 O
   O1481      1.0     0.125000      0.125000      0.750000     Uiso  0.900000 O
   O1482      1.0     0.625000      0.125000      0.750000     Uiso  0.900000 O
   O1483      1.0     0.125000      0.625000      0.750000     Uiso  0.900000 O
   O1484      1.0     0.625000      0.625000      0.750000     Uiso  0.900000 O
   O1485      1.0     0.375000      0.375000      0.750000     Uiso  0.900000 O
   O1486      1.0     0.875000      0.375000      0.750000     Uiso  0.900000 O
   O1487      1.0     0.375000      0.875000      0.750000     Uiso  0.900000 O
   O1488      1.0     0.875000      0.875000      0.750000     Uiso  0.900000 O
   O1489      1.0     0.125000      0.375000      0.750000     Uiso  0.900000 O
   O1490      1.0     0.625000      0.375000      0.750000     Uiso  0.900000 O
   O1491      1.0     0.125000      0.875000      0.750000     Uiso  0.900000 O
   O1492      1.0     0.625000      0.875000      0.750000     Uiso  0.900000 O
   O1493      1.0     0.375000      0.125000      0.750000     Uiso  0.900000 O
   O1494      1.0     0.875000      0.125000      0.750000     Uiso  0.900000 O
   O1495      1.0     0.375000      0.625000      0.750000     Uiso  0.900000 O
   O1496      1.0     0.875000      0.625000      0.750000     Uiso  0.900000 O
   O1497      1.0     0.250000      0.250000      0.750000     Uiso  0.900000 O
   O1498      1.0     0.750000      0.250000      0.750000     Uiso  0.900000 O
   O1499      1.0     0.250000      0.750000      0.750000     Uiso  0.900000 O
   O1500      1.0     0.750000      0.750000      0.750000     Uiso  0.900000 O
   O1501      1.0     0.000000      0.000000      0.750000     Uiso  0.900000 O
   O1502      1.0     0.500000      0.000000      0.750000     Uiso  0.900000 O
   O1503      1.0     0.000000      0.500000      0.750000     Uiso  0.900000 O
   O1504      1.0     0.500000      0.500000      0.750000     Uiso  0.900000 O
   O1505      1.0     0.000000      0.250000      0.750000     Uiso  0.900000 O
   O1506      1.0     0.500000      0.250000      0.750000     Uiso  0.900000 O
   O1507      1.0     0.000000      0.750000      0.750000     Uiso  0.900000 O
   O1508      1.0     0.500000      0.750000      0.750000     Uiso  0.900000 O
   O1509      1.0     0.250000      0.000000      0.750000     Uiso  0.900000 O
   O1510      1.0     0.750000      0.000000      0.750000     Uiso  0.900000 O
   O1511      1.0     0.250000      0.500000      0.750000     Uiso  0.900000 O
   O1512      1.0     0.750000      0.500000      0.750000     Uiso  0.900000 O
   SR1513     1.0     0.250000      0.375000      0.849433     Uiso  0.900000 Sr
   SR1514     1.0     0.750000      0.375000      0.849433     Uiso  0.900000 Sr
   SR1515     1.0     0.250000      0.875000      0.849433     Uiso  0.900000 Sr
   SR1516     1.0     0.750000      0.875000      0.849433     Uiso  0.900000 Sr
   SR1517     1.0     0.000000      0.375000      0.900567     Uiso  0.900000 Sr
   SR1518     1.0     0.500000      0.375000      0.900567     Uiso  0.900000 Sr
   SR1519     1.0     0.000000      0.875000      0.900567     Uiso  0.900000 Sr
   SR1520     1.0     0.500000      0.875000      0.900567     Uiso  0.900000 Sr
   CL1521     1.0     0.250000      0.375000      0.897283     Uiso  0.900000 Cl
   CL1522     1.0     0.750000      0.375000      0.897283     Uiso  0.900000 Cl
   CL1523     1.0     0.250000      0.875000      0.897283     Uiso  0.900000 Cl
   CL1524     1.0     0.750000      0.875000      0.897283     Uiso  0.900000 Cl
   CL1525     1.0     0.000000      0.125000      0.897283     Uiso  0.900000 Cl
   CL1526     1.0     0.500000      0.125000      0.897283     Uiso  0.900000 Cl
   CL1527     1.0     0.000000      0.625000      0.897283     Uiso  0.900000 Cl
   CL1528     1.0     0.500000      0.625000      0.897283     Uiso  0.900000 Cl
   CL1529     1.0     0.250000      0.125000      0.852717     Uiso  0.900000 Cl
   CL1530     1.0     0.750000      0.125000      0.852717     Uiso  0.900000 Cl
   CL1531     1.0     0.250000      0.625000      0.852717     Uiso  0.900000 Cl
   CL1532     1.0     0.750000      0.625000      0.852717     Uiso  0.900000 Cl
   CL1533     1.0     0.000000      0.375000      0.852717     Uiso  0.900000 Cl
   CL1534     1.0     0.500000      0.375000      0.852717     Uiso  0.900000 Cl
   CL1535     1.0     0.000000      0.875000      0.852717     Uiso  0.900000 Cl
   CL1536     1.0     0.500000      0.875000      0.852717     Uiso  0.900000 Cl
   CU1537     1.0     0.250000      0.250000      0.875000     Uiso  0.900000 Cu
   CU1538     1.0     0.750000      0.250000      0.875000     Uiso  0.900000 Cu
   CU1539     1.0     0.250000      0.750000      0.875000     Uiso  0.900000 Cu
   CU1540     1.0     0.750000      0.750000      0.875000     Uiso  0.900000 Cu
   CU1541     1.0     0.000000      0.000000      0.875000     Uiso  0.900000 Cu
   CU1542     1.0     0.500000      0.000000      0.875000     Uiso  0.900000 Cu
   CU1543     1.0     0.000000      0.500000      0.875000     Uiso  0.900000 Cu
   CU1544     1.0     0.500000      0.500000      0.875000     Uiso  0.900000 Cu
   CU1545     1.0     0.250000      0.000000      0.875000     Uiso  0.900000 Cu
   CU1546     1.0     0.750000      0.000000      0.875000     Uiso  0.900000 Cu
   CU1547     1.0     0.250000      0.500000      0.875000     Uiso  0.900000 Cu
   CU1548     1.0     0.750000      0.500000      0.875000     Uiso  0.900000 Cu
   CU1549     1.0     0.000000      0.250000      0.875000     Uiso  0.900000 Cu
   CU1550     1.0     0.500000      0.250000      0.875000     Uiso  0.900000 Cu
   CU1551     1.0     0.000000      0.750000      0.875000     Uiso  0.900000 Cu
   CU1552     1.0     0.500000      0.750000      0.875000     Uiso  0.900000 Cu
   CU1553     1.0     0.375000      0.375000      0.875000     Uiso  0.900000 Cu
   CU1554     1.0     0.875000      0.375000      0.875000     Uiso  0.900000 Cu
   CU1555     1.0     0.375000      0.875000      0.875000     Uiso  0.900000 Cu
   CU1556     1.0     0.875000      0.875000      0.875000     Uiso  0.900000 Cu
   CU1557     1.0     0.125000      0.125000      0.875000     Uiso  0.900000 Cu
   CU1558     1.0     0.625000      0.125000      0.875000     Uiso  0.900000 Cu
   CU1559     1.0     0.125000      0.625000      0.875000     Uiso  0.900000 Cu
   CU1560     1.0     0.625000      0.625000      0.875000     Uiso  0.900000 Cu
   CU1561     1.0     0.125000      0.375000      0.875000     Uiso  0.900000 Cu
   CU1562     1.0     0.625000      0.375000      0.875000     Uiso  0.900000 Cu
   CU1563     1.0     0.125000      0.875000      0.875000     Uiso  0.900000 Cu
   CU1564     1.0     0.625000      0.875000      0.875000     Uiso  0.900000 Cu
   CU1565     1.0     0.375000      0.125000      0.875000     Uiso  0.900000 Cu
   CU1566     1.0     0.875000      0.125000      0.875000     Uiso  0.900000 Cu
   CU1567     1.0     0.375000      0.625000      0.875000     Uiso  0.900000 Cu
   CU1568     1.0     0.875000      0.625000      0.875000     Uiso  0.900000 Cu
   O1569      1.0     0.074000      0.051000      0.864425     Uiso  0.900000 O
   O1570      1.0     0.574000      0.051000      0.864425     Uiso  0.900000 O
   O1571      1.0     0.074000      0.551000      0.864425     Uiso  0.900000 O
   O1572      1.0     0.574000      0.551000      0.864425     Uiso  0.900000 O
   O1573      1.0     0.324000      0.301000      0.864425     Uiso  0.900000 O
   O1574      1.0     0.824000      0.301000      0.864425     Uiso  0.900000 O
   O1575      1.0     0.324000      0.801000      0.864425     Uiso  0.900000 O
   O1576      1.0     0.824000      0.801000      0.864425     Uiso  0.900000 O
   O1577      1.0     0.426000      0.199000      0.864425     Uiso  0.900000 O
   O1578      1.0     0.926000      0.199000      0.864425     Uiso  0.900000 O
   O1579      1.0     0.426000      0.699000      0.864425     Uiso  0.900000 O
   O1580      1.0     0.926000      0.699000      0.864425     Uiso  0.900000 O
   O1581      1.0     0.176000      0.449000      0.864425     Uiso  0.900000 O
   O1582      1.0     0.676000      0.449000      0.864425     Uiso  0.900000 O
   O1583      1.0     0.176000      0.949000      0.864425     Uiso  0.900000 O
   O1584      1.0     0.676000      0.949000      0.864425     Uiso  0.900000 O
   O1585      1.0     0.074000      0.449000      0.885575     Uiso  0.900000 O
   O1586      1.0     0.574000      0.449000      0.885575     Uiso  0.900000 O
   O1587      1.0     0.074000      0.949000      0.885575     Uiso  0.900000 O
   O1588      1.0     0.574000      0.949000      0.885575     Uiso  0.900000 O
   O1589      1.0     0.324000      0.199000      0.885575     Uiso  0.900000 O
   O1590      1.0     0.824000      0.199000      0.885575     Uiso  0.900000 O
   O1591      1.0     0.324000      0.699000      0.885575     Uiso  0.900000 O
   O1592      1.0     0.824000      0.699000      0.885575     Uiso  0.900000 O
   O1593      1.0     0.426000      0.301000      0.885575     Uiso  0.900000 O
   O1594      1.0     0.926000      0.301000      0.885575     Uiso  0.900000 O
   O1595      1.0     0.426000      0.801000      0.885575     Uiso  0.900000 O
   O1596      1.0     0.926000      0.801000      0.885575     Uiso  0.900000 O
   O1597      1.0     0.176000      0.051000      0.885575     Uiso  0.900000 O
   O1598      1.0     0.676000      0.051000      0.885575     Uiso  0.900000 O
   O1599      1.0     0.176000      0.551000      0.885575     Uiso  0.900000 O
   O1600      1.0     0.676000      0.551000      0.885575     Uiso  0.900000 O
   O1601      1.0     0.426000      0.449000      0.885575     Uiso  0.900000 O
   O1602      1.0     0.926000      0.449000      0.885575     Uiso  0.900000 O
   O1603      1.0     0.426000      0.949000      0.885575     Uiso  0.900000 O
   O1604      1.0     0.926000      0.949000      0.885575     Uiso  0.900000 O
   O1605      1.0     0.176000      0.199000      0.885575     Uiso  0.900000 O
   O1606      1.0     0.676000      0.199000      0.885575     Uiso  0.900000 O
   O1607      1.0     0.176000      0.699000      0.885575     Uiso  0.900000 O
   O1608      1.0     0.676000      0.699000      0.885575     Uiso  0.900000 O
   O1609      1.0     0.074000      0.301000      0.885575     Uiso  0.900000 O
   O1610      1.0     0.574000      0.301000      0.885575     Uiso  0.900000 O
   O1611      1.0     0.074000      0.801000      0.885575     Uiso  0.900000 O
   O1612      1.0     0.574000      0.801000      0.885575     Uiso  0.900000 O
   O1613      1.0     0.324000      0.051000      0.885575     Uiso  0.900000 O
   O1614      1.0     0.824000      0.051000      0.885575     Uiso  0.900000 O
   O1615      1.0     0.324000      0.551000      0.885575     Uiso  0.900000 O
   O1616      1.0     0.824000      0.551000      0.885575     Uiso  0.900000 O
   O1617      1.0     0.426000      0.051000      0.864425     Uiso  0.900000 O
   O1618      1.0     0.926000      0.051000      0.864425     Uiso  0.900000 O
   O1619      1.0     0.426000      0.551000      0.864425     Uiso  0.900000 O
   O1620      1.0     0.926000      0.551000      0.864425     Uiso  0.900000 O
   O1621      1.0     0.176000      0.301000      0.864425     Uiso  0.900000 O
   O1622      1.0     0.676000      0.301000      0.864425     Uiso  0.900000 O
   O1623      1.0     0.176000      0.801000      0.864425     Uiso  0.900000 O
   O1624      1.0     0.676000      0.801000      0.864425     Uiso  0.900000 O
   O1625      1.0     0.074000      0.199000      0.864425     Uiso  0.900000 O
   O1626      1.0     0.574000      0.199000      0.864425     Uiso  0.900000 O
   O1627      1.0     0.074000      0.699000      0.864425     Uiso  0.900000 O
   O1628      1.0     0.574000      0.699000      0.864425     Uiso  0.900000 O
   O1629      1.0     0.324000      0.449000      0.864425     Uiso  0.900000 O
   O1630      1.0     0.824000      0.449000      0.864425     Uiso  0.900000 O
   O1631      1.0     0.324000      0.949000      0.864425     Uiso  0.900000 O
   O1632      1.0     0.824000      0.949000      0.864425     Uiso  0.900000 O
   O1633      1.0     0.250000      0.250000      0.833333     Uiso  0.900000 O
   O1634      1.0     0.750000      0.250000      0.833333     Uiso  0.900000 O
   O1635      1.0     0.250000      0.750000      0.833333     Uiso  0.900000 O
   O1636      1.0     0.750000      0.750000      0.833333     Uiso  0.900000 O
   O1637      1.0     0.000000      0.000000      0.833333     Uiso  0.900000 O
   O1638      1.0     0.500000      0.000000      0.833333     Uiso  0.900000 O
   O1639      1.0     0.000000      0.500000      0.833333     Uiso  0.900000 O
   O1640      1.0     0.500000      0.500000      0.833333     Uiso  0.900000 O
   O1641      1.0     0.250000      0.000000      0.833333     Uiso  0.900000 O
   O1642      1.0     0.750000      0.000000      0.833333     Uiso  0.900000 O
   O1643      1.0     0.250000      0.500000      0.833333     Uiso  0.900000 O
   O1644      1.0     0.750000      0.500000      0.833333     Uiso  0.900000 O
   O1645      1.0     0.000000      0.250000      0.833333     Uiso  0.900000 O
   O1646      1.0     0.500000      0.250000      0.833333     Uiso  0.900000 O
   O1647      1.0     0.000000      0.750000      0.833333     Uiso  0.900000 O
   O1648      1.0     0.500000      0.750000      0.833333     Uiso  0.900000 O
   O1649      1.0     0.375000      0.375000      0.833333     Uiso  0.900000 O
   O1650      1.0     0.875000      0.375000      0.833333     Uiso  0.900000 O
   O1651      1.0     0.375000      0.875000      0.833333     Uiso  0.900000 O
   O1652      1.0     0.875000      0.875000      0.833333     Uiso  0.900000 O
   O1653      1.0     0.125000      0.125000      0.833333     Uiso  0.900000 O
   O1654      1.0     0.625000      0.125000      0.833333     Uiso  0.900000 O
   O1655      1.0     0.125000      0.625000      0.833333     Uiso  0.900000 O
   O1656      1.0     0.625000      0.625000      0.833333     Uiso  0.900000 O
   O1657      1.0     0.125000      0.375000      0.833333     Uiso  0.900000 O
   O1658      1.0     0.625000      0.375000      0.833333     Uiso  0.900000 O
   O1659      1.0     0.125000      0.875000      0.833333     Uiso  0.900000 O
   O1660      1.0     0.625000      0.875000      0.833333     Uiso  0.900000 O
   O1661      1.0     0.375000      0.125000      0.833333     Uiso  0.900000 O
   O1662      1.0     0.875000      0.125000      0.833333     Uiso  0.900000 O
   O1663      1.0     0.375000      0.625000      0.833333     Uiso  0.900000 O
   O1664      1.0     0.875000      0.625000      0.833333     Uiso  0.900000 O
   SR1665     1.0     0.375000      0.000000      0.932767     Uiso  0.900000 Sr
   SR1666     1.0     0.875000      0.000000      0.932767     Uiso  0.900000 Sr
   SR1667     1.0     0.375000      0.500000      0.932767     Uiso  0.900000 Sr
   SR1668     1.0     0.875000      0.500000      0.932767     Uiso  0.900000 Sr
   SR1669     1.0     0.125000      0.000000      0.983900     Uiso  0.900000 Sr
   SR1670     1.0     0.625000      0.000000      0.983900     Uiso  0.900000 Sr
   SR1671     1.0     0.125000      0.500000      0.983900     Uiso  0.900000 Sr
   SR1672     1.0     0.625000      0.500000      0.983900     Uiso  0.900000 Sr
   CL1673     1.0     0.375000      0.000000      0.980617     Uiso  0.900000 Cl
   CL1674     1.0     0.875000      0.000000      0.980617     Uiso  0.900000 Cl
   CL1675     1.0     0.375000      0.500000      0.980617     Uiso  0.900000 Cl
   CL1676     1.0     0.875000      0.500000      0.980617     Uiso  0.900000 Cl
   CL1677     1.0     0.125000      0.250000      0.980617     Uiso  0.900000 Cl
   CL1678     1.0     0.625000      0.250000      0.980617     Uiso  0.900000 Cl
   CL1679     1.0     0.125000      0.750000      0.980617     Uiso  0.900000 Cl
   CL1680     1.0     0.625000      0.750000      0.980617     Uiso  0.900000 Cl
   CL1681     1.0     0.375000      0.250000      0.936050     Uiso  0.900000 Cl
   CL1682     1.0     0.875000      0.250000      0.936050     Uiso  0.900000 Cl
   CL1683     1.0     0.375000      0.750000      0.936050     Uiso  0.900000 Cl
   CL1684     1.0     0.875000      0.750000      0.936050     Uiso  0.900000 Cl
   CL1685     1.0     0.125000      0.000000      0.936050     Uiso  0.900000 Cl
   CL1686     1.0     0.625000      0.000000      0.936050     Uiso  0.900000 Cl
   CL1687     1.0     0.125000      0.500000      0.936050     Uiso  0.900000 Cl
   CL1688     1.0     0.625000      0.500000      0.936050     Uiso  0.900000 Cl
   CU1689     1.0     0.375000      0.375000      0.958333     Uiso  0.900000 Cu
   CU1690     1.0     0.875000      0.375000      0.958333     Uiso  0.900000 Cu
   CU1691     1.0     0.375000      0.875000      0.958333     Uiso  0.900000 Cu
   CU1692     1.0     0.875000      0.875000      0.958333     Uiso  0.900000 Cu
   CU1693     1.0     0.125000      0.125000      0.958333     Uiso  0.900000 Cu
   CU1694     1.0     0.625000      0.125000      0.958333     Uiso  0.900000 Cu
   CU1695     1.0     0.125000      0.625000      0.958333     Uiso  0.900000 Cu
   CU1696     1.0     0.625000      0.625000      0.958333     Uiso  0.900000 Cu
   CU1697     1.0     0.375000      0.125000      0.958333     Uiso  0.900000 Cu
   CU1698     1.0     0.875000      0.125000      0.958333     Uiso  0.900000 Cu
   CU1699     1.0     0.375000      0.625000      0.958333     Uiso  0.900000 Cu
   CU1700     1.0     0.875000      0.625000      0.958333     Uiso  0.900000 Cu
   CU1701     1.0     0.125000      0.375000      0.958333     Uiso  0.900000 Cu
   CU1702     1.0     0.625000      0.375000      0.958333     Uiso  0.900000 Cu
   CU1703     1.0     0.125000      0.875000      0.958333     Uiso  0.900000 Cu
   CU1704     1.0     0.625000      0.875000      0.958333     Uiso  0.900000 Cu
   CU1705     1.0     0.000000      0.000000      0.958333     Uiso  0.900000 Cu
   CU1706     1.0     0.500000      0.000000      0.958333     Uiso  0.900000 Cu
   CU1707     1.0     0.000000      0.500000      0.958333     Uiso  0.900000 Cu
   CU1708     1.0     0.500000      0.500000      0.958333     Uiso  0.900000 Cu
   CU1709     1.0     0.250000      0.250000      0.958333     Uiso  0.900000 Cu
   CU1710     1.0     0.750000      0.250000      0.958333     Uiso  0.900000 Cu
   CU1711     1.0     0.250000      0.750000      0.958333     Uiso  0.900000 Cu
   CU1712     1.0     0.750000      0.750000      0.958333     Uiso  0.900000 Cu
   CU1713     1.0     0.250000      0.000000      0.958333     Uiso  0.900000 Cu
   CU1714     1.0     0.750000      0.000000      0.958333     Uiso  0.900000 Cu
   CU1715     1.0     0.250000      0.500000      0.958333     Uiso  0.900000 Cu
   CU1716     1.0     0.750000      0.500000      0.958333     Uiso  0.900000 Cu
   CU1717     1.0     0.000000      0.250000      0.958333     Uiso  0.900000 Cu
   CU1718     1.0     0.500000      0.250000      0.958333     Uiso  0.900000 Cu
   CU1719     1.0     0.000000      0.750000      0.958333     Uiso  0.900000 Cu
   CU1720     1.0     0.500000      0.750000      0.958333     Uiso  0.900000 Cu
   O1721      1.0     0.199000      0.176000      0.947758     Uiso  0.900000 O
   O1722      1.0     0.699000      0.176000      0.947758     Uiso  0.900000 O
   O1723      1.0     0.199000      0.676000      0.947758     Uiso  0.900000 O
   O1724      1.0     0.699000      0.676000      0.947758     Uiso  0.900000 O
   O1725      1.0     0.449000      0.426000      0.947758     Uiso  0.900000 O
   O1726      1.0     0.949000      0.426000      0.947758     Uiso  0.900000 O
   O1727      1.0     0.449000      0.926000      0.947758     Uiso  0.900000 O
   O1728      1.0     0.949000      0.926000      0.947758     Uiso  0.900000 O
   O1729      1.0     0.051000      0.324000      0.947758     Uiso  0.900000 O
   O1730      1.0     0.551000      0.324000      0.947758     Uiso  0.900000 O
   O1731      1.0     0.051000      0.824000      0.947758     Uiso  0.900000 O
   O1732      1.0     0.551000      0.824000      0.947758     Uiso  0.900000 O
   O1733      1.0     0.301000      0.074000      0.947758     Uiso  0.900000 O
   O1734      1.0     0.801000      0.074000      0.947758     Uiso  0.900000 O
   O1735      1.0     0.301000      0.574000      0.947758     Uiso  0.900000 O
   O1736      1.0     0.801000      0.574000      0.947758     Uiso  0.900000 O
   O1737      1.0     0.199000      0.074000      0.968908     Uiso  0.900000 O
   O1738      1.0     0.699000      0.074000      0.968908     Uiso  0.900000 O
   O1739      1.0     0.199000      0.574000      0.968908     Uiso  0.900000 O
   O1740      1.0     0.699000      0.574000      0.968908     Uiso  0.900000 O
   O1741      1.0     0.449000      0.324000      0.968908     Uiso  0.900000 O
   O1742      1.0     0.949000      0.324000      0.968908     Uiso  0.900000 O
   O1743      1.0     0.449000      0.824000      0.968908     Uiso  0.900000 O
   O1744      1.0     0.949000      0.824000      0.968908     Uiso  0.900000 O
   O1745      1.0     0.051000      0.426000      0.968908     Uiso  0.900000 O
   O1746      1.0     0.551000      0.426000      0.968908     Uiso  0.900000 O
   O1747      1.0     0.051000      0.926000      0.968908     Uiso  0.900000 O
   O1748      1.0     0.551000      0.926000      0.968908     Uiso  0.900000 O
   O1749      1.0     0.301000      0.176000      0.968908     Uiso  0.900000 O
   O1750      1.0     0.801000      0.176000      0.968908     Uiso  0.900000 O
   O1751      1.0     0.301000      0.676000      0.968908     Uiso  0.900000 O
   O1752      1.0     0.801000      0.676000      0.968908     Uiso  0.900000 O
   O1753      1.0     0.051000      0.074000      0.968908     Uiso  0.900000 O
   O1754      1.0     0.551000      0.074000      0.968908     Uiso  0.900000 O
   O1755      1.0     0.051000      0.574000      0.968908     Uiso  0.900000 O
   O1756      1.0     0.551000      0.574000      0.968908     Uiso  0.900000 O
   O1757      1.0     0.301000      0.324000      0.968908     Uiso  0.900000 O
   O1758      1.0     0.801000      0.324000      0.968908     Uiso  0.900000 O
   O1759      1.0     0.301000      0.824000      0.968908     Uiso  0.900000 O
   O1760      1.0     0.801000      0.824000      0.968908     Uiso  0.900000 O
   O1761      1.0     0.199000      0.426000      0.968908     Uiso  0.900000 O
   O1762      1.0     0.699000      0.426000      0.968908     Uiso  0.900000 O
   O1763      1.0     0.199000      0.926000      0.968908     Uiso  0.900000 O
   O1764      1.0     0.699000      0.926000      0.968908     Uiso  0.900000 O
   O1765      1.0     0.449000      0.176000      0.968908     Uiso  0.900000 O
   O1766      1.0     0.949000      0.176000      0.968908     Uiso  0.900000 O
   O1767      1.0     0.449000      0.676000      0.968908     Uiso  0.900000 O
   O1768      1.0     0.949000      0.676000      0.968908     Uiso  0.900000 O
   O1769      1.0     0.051000      0.176000      0.947758     Uiso  0.900000 O
   O1770      1.0     0.551000      0.176000      0.947758     Uiso  0.900000 O
   O1771      1.0     0.051000      0.676000      0.947758     Uiso  0.900000 O
   O1772      1.0     0.551000      0.676000      0.947758     Uiso  0.900000 O
   O1773      1.0     0.301000      0.426000      0.947758     Uiso  0.900000 O
   O1774      1.0     0.801000      0.426000      0.947758     Uiso  0.900000 O
   O1775      1.0     0.301000      0.926000      0.947758     Uiso  0.900000 O
   O1776      1.0     0.801000      0.926000      0.947758     Uiso  0.900000 O
   O1777      1.0     0.199000      0.324000      0.947758     Uiso  0.900000 O
   O1778      1.0     0.699000      0.324000      0.947758     Uiso  0.900000 O
   O1779      1.0     0.199000      0.824000      0.947758     Uiso  0.900000 O
   O1780      1.0     0.699000      0.824000      0.947758     Uiso  0.900000 O
   O1781      1.0     0.449000      0.074000      0.947758     Uiso  0.900000 O
   O1782      1.0     0.949000      0.074000      0.947758     Uiso  0.900000 O
   O1783      1.0     0.449000      0.574000      0.947758     Uiso  0.900000 O
   O1784      1.0     0.949000      0.574000      0.947758     Uiso  0.900000 O
   O1785      1.0     0.375000      0.375000      0.916667     Uiso  0.900000 O
   O1786      1.0     0.875000      0.375000      0.916667     Uiso  0.900000 O
   O1787      1.0     0.375000      0.875000      0.916667     Uiso  0.900000 O
   O1788      1.0     0.875000      0.875000      0.916667     Uiso  0.900000 O
   O1789      1.0     0.125000      0.125000      0.916667     Uiso  0.900000 O
   O1790      1.0     0.625000      0.125000      0.916667     Uiso  0.900000 O
   O1791      1.0     0.125000      0.625000      0.916667     Uiso  0.900000 O
   O1792      1.0     0.625000      0.625000      0.916667     Uiso  0.900000 O
   O1793      1.0     0.375000      0.125000      0.916667     Uiso  0.900000 O
   O1794      1.0     0.875000      0.125000      0.916667     Uiso  0.900000 O
   O1795      1.0     0.375000      0.625000      0.916667     Uiso  0.900000 O
   O1796      1.0     0.875000      0.625000      0.916667     Uiso  0.900000 O
   O1797      1.0     0.125000      0.375000      0.916667     Uiso  0.900000 O
   O1798      1.0     0.625000      0.375000      0.916667     Uiso  0.900000 O
   O1799      1.0     0.125000      0.875000      0.916667     Uiso  0.900000 O
   O1800      1.0     0.625000      0.875000      0.916667     Uiso  0.900000 O
   O1801      1.0     0.000000      0.000000      0.916667     Uiso  0.900000 O
   O1802      1.0     0.500000      0.000000      0.916667     Uiso  0.900000 O
   O1803      1.0     0.000000      0.500000      0.916667     Uiso  0.900000 O
   O1804      1.0     0.500000      0.500000      0.916667     Uiso  0.900000 O
   O1805      1.0     0.250000      0.250000      0.916667     Uiso  0.900000 O
   O1806      1.0     0.750000      0.250000      0.916667     Uiso  0.900000 O
   O1807      1.0     0.250000      0.750000      0.916667     Uiso  0.900000 O
   O1808      1.0     0.750000      0.750000      0.916667     Uiso  0.900000 O
   O1809      1.0     0.250000      0.000000      0.916667     Uiso  0.900000 O
   O1810      1.0     0.750000      0.000000      0.916667     Uiso  0.900000 O
   O1811      1.0     0.250000      0.500000      0.916667     Uiso  0.900000 O
   O1812      1.0     0.750000      0.500000      0.916667     Uiso  0.900000 O
   O1813      1.0     0.000000      0.250000      0.916667     Uiso  0.900000 O
   O1814      1.0     0.500000      0.250000      0.916667     Uiso  0.900000 O
   O1815      1.0     0.000000      0.750000      0.916667     Uiso  0.900000 O
   O1816      1.0     0.500000      0.750000      0.916667     Uiso  0.900000 O
