data_[Br4Cl4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [10.0573]
_cell_length_b [5.5015]
_cell_length_c [6.4881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [BrClO2]
_chemical_formula_sum '[Br4 Cl4 O8]'
_cell_volume [319.0839]
_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  0.3871  0.1379  0.1077  1
  Cl  Cl1  4  0.2181  0.3079  0.2405  1
  O  O2  4  0.0886  0.1474  0.1576  1
  O  O3  4  0.1849  0.4515  0.6306  1
]