data_/home/k0566/k056601/DTSPs/029/DensestPackings/0.290000-0.500000-1.000000/10-3-2/CifFiles/0.798053.cif
_audit_creation_date              Tue Oct 19 05:19:46 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               4.33230460199
_cell_angle_alpha            90
_cell_angle_beta             110.33818151
_cell_angle_gamma            60
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  0.460718151179  0.318319812776  0.96707780762   0   Uiso   1
A2   H  0.209704291504  0.208941579695  0.889465346408   0   Uiso   1
A3   Sc  0.94068612468  0.579909361816  0.113590677163   0   Uiso   1
A4   H  0.419552957505  0.840053868768  0.259165665192   0   Uiso   1
A5   H  0.753206956031  0.172944808658  0.259073701076   0   Uiso   1
A6   Na  0.223519049174  0.938492899569  0.395345740526   0   Uiso   1
A7   Na  0.723519049174  0.438492899569  0.395345740526   0   Uiso   1
A8   Na  0.723519049174  0.938492899569  0.395345740526   0   Uiso   1
A9   H  0.0272776367954  0.0371730828554  0.531461414365   0   Uiso   1
A10   H  0.69389022313  0.703806888086  0.531553065831   0   Uiso   1
A11   Sc  0.506351973667  0.297076437322  0.677100803889   0   Uiso   1
A12   H  0.225381791167  0.684003388962  0.897473293128   0   Uiso   1
A13   H  0.984719305872  0.558476858467  0.823321452531   0   Uiso   1
A14   H  0.128526229509  0.985987762324  0.968646546109   0   Uiso   1
A15   H  0.318512568386  0.890997361793  0.822044998775   0   Uiso   1
