data_/home/k0475/k047502/DTSPs/DensestPackings/0.200000-0.300000-1.000000/18-2-1/CifFiles/0.823226.cif
_audit_creation_date              Sat Apr 10 13:25:13 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
_cell_length_b               2
_cell_length_c               2
_cell_angle_alpha            106.23713473
_cell_angle_beta             63.8922719584
_cell_angle_gamma            73.7203213843
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  0.884607941093  0.435828981588  0.795300069259   0   Uiso   1
A2   Na  0.571445108164  0.599309584066  0.969515219843   0   Uiso   1
A3   H  0.385016412128  0.477593867799  0.967398737863   0   Uiso   1
A4   H  0.247992312404  0.720323430742  0.460426446446   0   Uiso   1
A5   H  0.234614287475  0.436201527754  0.145128804251   0   Uiso   1
A6   H  0.535980601551  0.965657245502  0.800093672474   0   Uiso   1
A7   Sc  0.816510032951  0.0989477731569  0.213913631528   0   Uiso   1
A8   H  0.827424298547  0.601982889293  0.699953394121   0   Uiso   1
A9   H  0.398396932766  0.761703623832  0.282684932727   0   Uiso   1
A10   H  0.2303959714  0.404466423914  0.933318220734   0   Uiso   1
A11   H  0.402624094502  0.232238300812  0.933318220734   0   Uiso   1
A12   Na  0.0615874021191  0.598580369404  0.458299460022   0   Uiso   1
A13   H  0.302820141445  0.595634259597  0.224269847643   0   Uiso   1
A14   H  0.0970394643505  0.404598382703  0.800093672474   0   Uiso   1
A15   H  0.2303959714  0.965657245502  0.494509042322   0   Uiso   1
A16   H  0.535980601552  0.793297163611  0.627733590583   0   Uiso   1
A17   H  0.570251922049  0.721010638639  0.782794049363   0   Uiso   1
A18   H  0.0970394643505  0.232238300812  0.627733590583   0   Uiso   1
A19   H  0.0627702014989  0.476906888994  0.645044570694   0   Uiso   1
A20   H  0.402624094502  0.7934291224  0.494509042322   0   Uiso   1
A21   H  0.748425696768  0.762076376223  0.632536195787   0   Uiso   1
