data_[Br8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5448]
_cell_length_b [4.3230]
_cell_length_c [12.4259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Br2Cl]
_chemical_formula_sum '[Br8 Cl4]'
_cell_volume [505.4735]
_cell_formula_units_Z [4]
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  4  0.0569  0.0000  0.3319  1
  Br  Br1  4  0.1237  0.5000  0.0019  1
  Cl  Cl2  4  0.2139  0.5000  0.6606  1
]