data_[Br4Cl20]
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 [Cmc2_1]
_cell_length_a [8.0130]
_cell_length_b [9.6344]
_cell_length_c [9.7205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [BrCl5]
_chemical_formula_sum '[Br4 Cl20]'
_cell_volume [750.4252]
_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  0.0000  0.1320  0.2617  1
  Cl  Cl1  8  0.1255  0.2558  0.7538  1
  Cl  Cl2  4  0.0000  0.0503  0.0541  1
  Cl  Cl3  4  0.0000  0.4191  0.4173  1
  Cl  Cl4  4  0.0000  0.4406  0.0693  1
]