data_/home/koshoji/SAMLAIdsp/Work/DensestPackings/0.300000-0.500000-1.000000/10-3-2/CifFiles/0.788505.cif
_audit_creation_date              Sun Mar 14 00:21:59 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               2.02960964254
_cell_length_b               2.02960964402
_cell_length_c               4.0673449632
_cell_angle_alpha            82.8336650965
_cell_angle_beta             104.447959517
_cell_angle_gamma            120.000000363
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  0.0476531117989  0.442247207648  0.185319385147   0   Uiso   1
A2   Sc  0.733668774722  0.108913875292  0.89068404725   0   Uiso   1
A3   H  0.471797120821  0.442247207648  0.0336074031912   0   Uiso   1
A4   H  0.138463784564  0.775580542936  0.0336074031912   0   Uiso   1
A5   H  0.826449194705  0.601889721004  0.106781767553   0   Uiso   1
A6   H  0.714319775541  0.775580542936  0.185319385147   0   Uiso   1
A7   Sc  0.452448121641  0.108913875292  0.328242741088   0   Uiso   1
A8   H  0.356242403782  0.613877957919  0.112189123813   0   Uiso   1
A9   H  0.857243131483  0.775580542936  0.471166097029   0   Uiso   1
A10   H  0.19057646774  0.442247207648  0.471166097029   0   Uiso   1
A11   Na  0.593058448181  0.610545494623  0.609463394169   0   Uiso   1
A12   H  0.995540428622  0.775580542936  0.747760691309   0   Uiso   1
A13   Na  0.0946899561509  0.108913875292  0.609463394169   0   Uiso   1
A14   Na  0.0914277258626  0.607283152973  0.609463394169   0   Uiso   1
A15   H  0.32887376488  0.442247207648  0.747760691309   0   Uiso   1
