data_/home/k0475/k047502/DTSPs/030/DensestPackings/0.300000-0.470000-1.000000/4-4-2/CifFiles/0.770850.cif
_audit_creation_date              Sun Aug 29 19:07:33 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               2.14375318702
_cell_length_b               2
_cell_length_c               3.3731712621
_cell_angle_alpha            89.2379198258
_cell_angle_beta             108.527830103
_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  0.844632281296  0.873677202269  0.936988902088   0   Uiso   1
A2   H  0.787824425931  0.887760197807  0.309188745034   0   Uiso   1
A3   Na  0.48634576626  0.118084755977  0.220415659515   0   Uiso   1
A4   Na  0.361745319101  0.372909432996  0.971214977698   0   Uiso   1
A5   H  0.188723694085  0.369137640826  0.139356173992   0   Uiso   1
A6   Na  0.485998564152  0.624230496979  0.22136538397   0   Uiso   1
A7   H  0.273639979606  0.887760197807  0.309188745034   0   Uiso   1
A8   H  0.70290814041  0.369137640826  0.139356173992   0   Uiso   1
A9   Na  0.614802800916  0.883988405636  0.477329941328   0   Uiso   1
A10   Sc  0.131915838721  0.383220636363  0.511556016938   0   Uiso   1
