data_CdBiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   5.98
_cell_angle_alpha   100.24
_cell_angle_beta   100.24
_cell_angle_gamma   34.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiBr2
_chemical_formula_sum   'Cd1 Bi1 Br2'
_cell_volume   125.67
_cell_formula_units_Z   1
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  Cd3  1  0.5  0.0  0.41  1.0
  Bi  Bi0  1  0.27  0.0  0.24  1.0
  Br  Br1  1  0.14  0.0  0.0  1.0
  Br  Br2  1  0.15  0.0  0.17  1.0

data_CdBiBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   5.98
_cell_length_c   6.18
_cell_angle_alpha   100.24
_cell_angle_beta   107.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiBr2
_chemical_formula_sum   'Cd1 Bi1 Br2'
_cell_volume   125.67
_cell_formula_units_Z   1
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  0.41  0.5  1.0
  Bi  Bi1  1  0.0  0.24  0.27  1.0
  Br  Br2  1  0.0  0.0  0.14  1.0
  Br  Br3  1  0.0  0.17  0.15  1.0

Cd Bi Br Br
Cd Bi Br Br 0 1 o o o 1 3 o o o 2 3 o o o 