data_Cd2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   8.24
_cell_angle_alpha   105.26
_cell_angle_beta   105.26
_cell_angle_gamma   30.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Bi
_chemical_formula_sum   'Cd4 Bi2'
_cell_volume   160.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cd  Cd2  1  0.34  0.0  0.24  1.0
  Cd  Cd3  1  0.52  0.0  0.53  1.0
  Cd  Cd4  1  0.21  0.0  0.96  1.0
  Cd  Cd5  1  0.42  0.0  0.33  1.0
  Bi  Bi0  1  0.53  0.0  0.84  1.0
  Bi  Bi1  1  0.83  0.0  0.48  1.0

data_Cd2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   6.3
_cell_length_c   8.24
_cell_angle_alpha   105.26
_cell_angle_beta   90.0
_cell_angle_gamma   105.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Bi
_chemical_formula_sum   'Cd4 Bi2'
_cell_volume   160.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cd  Cd0  1  0.0  0.48  0.47  1.0
  Cd  Cd1  1  0.0  0.58  0.67  1.0
  Cd  Cd2  1  0.0  0.66  0.76  1.0
  Cd  Cd3  1  0.0  0.79  0.04  1.0
  Bi  Bi4  1  0.0  0.17  0.52  1.0
  Bi  Bi5  1  0.0  0.47  0.16  1.0

Cd Cd Cd Cd Bi Bi