data_[Br2Cl2O4]
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 [C2/m]
_cell_length_a [6.4565]
_cell_length_b [6.8994]
_cell_length_c [4.8677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BrClO2]
_chemical_formula_sum '[Br2 Cl2 O4]'
_cell_volume [203.7664]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5000  1
  Cl  Cl1  2  0.0000  0.5000  0.0000  1
  O  O2  4  0.0111  0.0000  0.3801  1
]