data_BrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   63.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BrCl
_chemical_formula_sum   'Br2 Cl2'
_cell_volume   158.37
_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
  Br  Br0  1  0.03  0.52  0.92  1.0
  Br  Br1  1  0.03  0.48  0.83  1.0
  Cl  Cl2  1  0.03  0.09  0.9  1.0
  Cl  Cl3  1  0.03  0.91  0.99  1.0

data_BrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BrCl
_chemical_formula_sum   'Br2 Cl2'
_cell_volume   158.37
_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
  Br  Br0  1  0.03  0.48  0.08  1.0
  Br  Br1  1  0.03  0.52  0.17  1.0
  Cl  Cl2  1  0.03  0.09  0.01  1.0
  Cl  Cl3  1  0.03  0.91  0.1  1.0

Br Br Cl Cl