data_BiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   3.59
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiBr
_chemical_formula_sum   'Bi2 Br2'
_cell_volume   120.61
_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
  Bi  Bi0  1  0.72  0.8  0.38  1.0
  Bi  Bi1  1  0.57  0.8  0.96  1.0
  Br  Br2  1  0.72  0.0  0.9  1.0
  Br  Br3  1  0.57  0.0  0.44  1.0

data_BiBr
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.34
_cell_length_b   3.59
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   BiBr
_chemical_formula_sum   'Bi2 Br2'
_cell_volume   120.61
_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
  Bi  Bi0  2  0.21  0.2  0.57  1.0
  Br  Br1  2  0.27  0.0  0.43  1.0

Bi Bi Br Br