data_/home/k0475/k047502/DTSPs/DensestPackings/0.200000-0.450000-1.000000/18-6-6/CifFiles/0.773209.cif
_audit_creation_date              Thu Apr 15 07:48:12 2021

_audit_creation_method            'SAMLAI'
_symmetry_space_group_name_H-M    'P1'
_symmetry_Int_Tables_number       1
_symmetry_cell_setting            triclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
_cell_length_a               3.18266689281
_cell_length_b               3.62637240964
_cell_length_c               3.62637240964
_cell_angle_alpha            60
_cell_angle_beta             90
_cell_angle_gamma            90
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
A1   H  0.696762337892  0.877716157636  0.838882166397   0   Uiso   1
A2   Na  0.83416858315  0.874978375035  0.154530147699   0   Uiso   1
A3   H  0.450002798438  0.880417934893  0.979892278622   0   Uiso   1
A4   H  0.44947512288  0.0447054114474  0.159399964453   0   Uiso   1
A5   H  0.497806699891  0.884307051832  0.84917191001   0   Uiso   1
A6   Na  0.885292218767  0.541645041702  0.821196814366   0   Uiso   1
A7   H  0.949847205877  0.37196532573  0.816207218199   0   Uiso   1
A8   Sc  0.109730400958  0.18862245243  0.163871482495   0   Uiso   1
A9   Sc  0.609730400958  0.532303706905  0.144182226557   0   Uiso   1
A10   H  0.0125073118317  0.529174397127  0.151939186087   0   Uiso   1
A11   H  0.22536752766  0.534927443445  0.139794181574   0   Uiso   1
A12   Na  0.33416858315  0.541645041702  0.821196814366   0   Uiso   1
A13   H  0.269959416809  0.537267279601  0.995746968138   0   Uiso   1
A14   H  0.595177933344  0.868427292105  0.155345681131   0   Uiso   1
A15   Sc  0.109730400958  0.884319709831  0.831544735508   0   Uiso   1
A16   H  0.769914944446  0.880712373596  0.98006873929   0   Uiso   1
A17   H  0.770345061948  0.701260571248  0.323407346798   0   Uiso   1
A18   Na  0.359730400958  0.208311708368  0.487863481033   0   Uiso   1
A19   Sc  0.609730400958  0.864630453893  0.507552736971   0   Uiso   1
A20   H  0.609865851023  0.552550066516  0.46727538609   0   Uiso   1
A21   H  0.237470741905  0.918659915793  0.504457821263   0   Uiso   1
A22   Na  0.385292218767  0.874978375035  0.154530147699   0   Uiso   1
A23   Sc  0.609730400958  0.228000964307  0.81185547957   0   Uiso   1
A24   H  0.449038916731  0.700672066283  0.323372462291   0   Uiso   1
A25   H  0.732633885587  0.554323652227  0.495230737202   0   Uiso   1
A26   H  0.00220881291344  0.875331025362  0.493955187802   0   Uiso   1
A27   H  0.241647197348  0.791932927011  0.578245438926   0   Uiso   1
A28   Sc  0.109730400958  0.551992962844  0.468174225094   0   Uiso   1
A29   Na  0.859730400958  0.208311708368  0.487863481033   0   Uiso   1
A30   H  0.487676820866  0.553420686876  0.498102140439   0   Uiso   1
