data_/home/i0005/i000501/DTSPs/DensestPackings/0.300000-0.550000-1.000000/9-6-3/CifFiles/0.785141.cif
_audit_creation_date              Sun Mar 21 06:25:12 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               2.82842712475
_cell_length_b               2.82842712475
_cell_length_c               2.82842712475
_cell_angle_alpha            90
_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   Sc  0.0777976226411  0.60365757994  0.190663751213   0   Uiso   1
A2   H  0.786716665401  0.811635054423  0.899149633416   0   Uiso   1
A3   H  0.368999619167  0.81204499653  0.899024534911   0   Uiso   1
A4   Sc  0.577797622641  0.10365757994  0.190663751213   0   Uiso   1
A5   Sc  0.077797622641  0.10365757994  0.690663751213   0   Uiso   1
A6   H  0.786160042634  0.395013348103  0.898895711703   0   Uiso   1
A7   Na  0.577768685199  0.603714727425  0.965713581183   0   Uiso   1
A8   H  0.368785271202  0.394617150929  0.89878730479   0   Uiso   1
A9   Na  0.577866725853  0.60366923745  0.41553017721   0   Uiso   1
A10   H  0.110725055371  0.078120045119  0.223815454322   0   Uiso   1
A11   H  0.786413665416  0.394765840439  0.482131545505   0   Uiso   1
A12   H  0.36952008414  0.812204496951  0.481759916583   0   Uiso   1
A13   Na  0.57783564345  0.878783521062  0.690565844919   0   Uiso   1
A14   Na  0.302717680172  0.603646045184  0.690664724424   0   Uiso   1
A15   Na  0.577811571657  0.328502725754  0.690684939716   0   Uiso   1
A16   Na  0.852820782922  0.603677453471  0.690725676775   0   Uiso   1
A17   H  0.369288482255  0.395067524621  0.481880115147   0   Uiso   1
A18   H  0.78680771529  0.81220869023  0.4814081616   0   Uiso   1
