data_CrPbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17
_cell_length_b   7.88
_cell_length_c   3.44
_cell_angle_alpha   82.46
_cell_angle_beta   72.89
_cell_angle_gamma   24.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrPbBr
_chemical_formula_sum   'Cr1 Pb1 Br1'
_cell_volume   83.03
_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
  Cr  Cr1  1  0.89  0.88  0.96  1.0
  Pb  Pb2  1  0.89  0.88  0.71  1.0
  Br  Br0  1  0.89  0.88  0.63  1.0

data_CrPbBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.77
_cell_length_b   15.3
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   123.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrPbBr
_chemical_formula_sum   'Cr2 Pb2 Br2'
_cell_volume   166.05
_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
  Cr  Cr0  2  0.39  0.5  0.85  1.0
  Pb  Pb1  2  0.39  0.5  0.59  1.0
  Br  Br2  2  0.39  0.5  0.52  1.0

Cr Pb Br