data_BrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   6.26
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BrCl
_chemical_formula_sum   'Br2 Cl2'
_cell_volume   115.35
_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  0.0  0.0  0.17  1.0
  Br  Br1  1  0.87  0.13  0.74  1.0
  Cl  Cl2  1  0.0  0.0  0.7  1.0
  Cl  Cl3  1  0.87  0.13  0.21  1.0

data_BrCl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.75
_cell_length_b   4.91
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BrCl
_chemical_formula_sum   'Br2 Cl2'
_cell_volume   115.35
_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
  Br  Br0  2  0.06  0.21  0.43  1.0
  Cl  Cl1  2  0.06  0.75  0.43  1.0

Br Br Cl Cl