data_BrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   146.47
_cell_angle_beta   99.85
_cell_angle_gamma   89.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BrCl2
_chemical_formula_sum   'Br1 Cl2'
_cell_volume   97.93
_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
  Br  Br0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.0  0.32  1.0
  Cl  Cl2  1  0.0  0.0  0.77  1.0

data_BrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   80.15
_cell_angle_beta   73.24
_cell_angle_gamma   73.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BrCl2
_chemical_formula_sum   'Br1 Cl2'
_cell_volume   97.93
_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
  Br  Br0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.0  -0.0  0.77  1.0
  Cl  Cl2  1  0.0  0.0  0.32  1.0

Br Cl Cl