data_[Br1Cl5]
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 [4.4738]
_cell_length_b [4.7954]
_cell_length_c [11.6076]
_cell_angle_alpha [95.8323]
_cell_angle_beta [95.9305]
_cell_angle_gamma [106.4985]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BrCl5]
_chemical_formula_sum '[Br1 Cl5]'
_cell_volume [235.2459]
_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  0.0589  0.0317  0.0187  1.0
  Cl  Cl1  1  0.2187  0.5193  0.0350  1.0
  Cl  Cl2  1  0.3886  0.7239  0.6841  1.0
  Cl  Cl3  1  0.5564  0.1634  0.6993  1.0
  Cl  Cl4  1  0.7214  0.3945  0.3571  1.0
  Cl  Cl5  1  0.8894  0.8338  0.3724  1.0
]