data_Cd3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Bi
_chemical_formula_sum   'Cd6 Bi2'
_cell_volume   227.8
_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  0.12  0.21  0.65  1.0
  Cd  Cd3  1  0.12  0.79  0.22  1.0
  Cd  Cd4  1  0.71  0.41  0.65  1.0
  Cd  Cd5  1  0.53  0.59  0.22  1.0
  Cd  Cd6  1  0.53  0.41  0.65  1.0
  Cd  Cd7  1  0.71  0.59  0.22  1.0
  Bi  Bi0  1  0.12  0.0  0.22  1.0
  Bi  Bi1  1  0.12  1.0  0.65  1.0

data_Cd3Bi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.87
_cell_length_b   7.01
_cell_length_c   7.01
_cell_angle_alpha   108.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cd3Bi
_chemical_formula_sum   'Cd6 Bi2'
_cell_volume   227.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.22  0.0  0.21  1.0
  Cd  Cd1  2  0.22  0.41  0.41  1.0
  Cd  Cd2  2  0.22  0.59  0.41  1.0
  Bi  Bi3  2  0.22  0.0  1.0  1.0

Cd Cd Cd Cd Cd Cd Bi Bi