data_/home/i0005/i000501/DTSPs/DensestPackings/0.450000-0.700000-1.000000/8-4-3/CifFiles/0.742343.cif
_audit_creation_date              Sun Mar 21 20:02:42 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               2.82016307003
_cell_length_b               2.01606377202
_cell_length_c               5.24229795206
_cell_angle_alpha            101.086349461
_cell_angle_beta             79.948354508
_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  0.574118629558  0.528962161613  0.128591812589   0   Uiso   1
A2   H  0.430190599536  0.202592406833  0.0294378530055   0   Uiso   1
A3   Na  0.857270612689  0.614519021953  0.299722426573   0   Uiso   1
A4   H  0.286262569513  0.429808202029  0.930283893422   0   Uiso   1
A5   H  0.430190599536  0.756177956809  0.0294378530055   0   Uiso   1
A6   H  0.638457295316  0.429808202029  0.930283893422   0   Uiso   1
A7   Sc  0.930190599536  0.979385181821  0.0294378530055   0   Uiso   1
A8   Sc  0.521087629125  0.839301450026  0.749270389415   0   Uiso   1
A9   H  0.221923903755  0.528962161613  0.128591812589   0   Uiso   1
A10   Sc  0.339293569946  0.119468913616  0.309605316596   0   Uiso   1
A11   H  0.526871558366  0.698098977289  0.466865511829   0   Uiso   1
A12   Na  0.778438727798  0.213253863735  0.497175216834   0   Uiso   1
A13   Na  0.0819424712732  0.745516499906  0.561700489177   0   Uiso   1
A14   H  0.333513347773  0.260673763076  0.592009249312   0   Uiso   1
A15   Na  0.00312181379546  0.344247660534  0.759158361263   0   Uiso   1
