data_CdPbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   3.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPbBr
_chemical_formula_sum   'Cd1 Pb1 Br1'
_cell_volume   91.07
_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  Cd1  1  0.0  0.13  0.18  1.0
  Pb  Pb2  1  0.71  0.56  0.76  1.0
  Br  Br0  1  0.0  0.0  0.23  1.0

data_CdPbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPbBr
_chemical_formula_sum   'Cd1 Pb1 Br1'
_cell_volume   91.07
_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  0.18  0.0  0.13  1.0
  Pb  Pb1  1  0.76  0.71  0.56  1.0
  Br  Br2  1  0.23  0.0  0.0  1.0

Cd Pb Br