data_BiPbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   7.69
_cell_length_c   7.69
_cell_angle_alpha   152.93
_cell_angle_beta   152.93
_cell_angle_gamma   38.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPbBr
_chemical_formula_sum   'Bi1 Pb1 Br1'
_cell_volume   93.9
_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
  Bi  Bi0  1  0.0  0.0  0.08  1.0
  Pb  Pb2  1  0.0  0.0  0.81  1.0
  Br  Br1  1  0.0  0.0  0.62  1.0

data_BiPbBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   109.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiPbBr
_chemical_formula_sum   'Bi2 Pb2 Br2'
_cell_volume   187.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Bi  Bi0  2  0.08  0.0  0.08  1.0
  Pb  Pb1  2  0.31  0.5  0.81  1.0
  Br  Br2  2  0.12  0.5  0.62  1.0

Bi Pb Br