data_Br2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.65
_cell_length_b   11.65
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Br2Cl
_chemical_formula_sum   'Br4 Cl2'
_cell_volume   232.13
_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  0.14  0.46  0.56  1.0
  Br  Br1  1  0.14  0.93  0.56  1.0
  Br  Br2  1  0.14  0.07  0.19  1.0
  Br  Br3  1  0.14  0.54  0.19  1.0
  Cl  Cl4  1  0.14  0.18  0.56  1.0
  Cl  Cl5  1  0.14  0.82  0.19  1.0

data_Br2Cl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.28
_cell_length_b   4.74
_cell_length_c   11.65
_cell_angle_alpha   90.0
_cell_angle_beta   100.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Br2Cl
_chemical_formula_sum   'Br4 Cl2'
_cell_volume   232.13
_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  0.07  0.69  0.57  1.0
  Br  Br1  2  0.46  0.31  0.96  1.0
  Cl  Cl2  2  0.18  0.31  0.68  1.0

Br Br Br Br Cl Cl