data_[Br3Cl1]
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 [P1]
_cell_length_a [4.7331]
_cell_length_b [5.9516]
_cell_length_c [6.3531]
_cell_angle_alpha [83.6939]
_cell_angle_beta [84.2510]
_cell_angle_gamma [83.3469]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Br3Cl]
_chemical_formula_sum '[Br3 Cl1]'
_cell_volume [175.9877]
_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  0.2561  0.8811  0.6123  1.0
  Br  Br1  1  0.4827  0.5436  0.4662  1.0
  Br  Br2  1  0.9902  0.0500  0.9670  1.0
  Cl  Cl3  1  0.7711  0.3586  0.1208  1.0
]