data_[Br6O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7549]
_cell_length_b [7.0909]
_cell_length_c [8.2230]
_cell_angle_alpha [66.6832]
_cell_angle_beta [81.9975]
_cell_angle_gamma [83.8561]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Br3O2]
_chemical_formula_sum '[Br6 O4]'
_cell_volume [304.6600]
_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  1  0.1356  0.4132  0.9487  1
  Br  Br1  1  0.3994  0.7437  0.8772  1
  Br  Br2  1  0.6150  0.0426  0.4194  1
  Br  Br3  1  0.6466  0.0260  0.8268  1
  Br  Br4  1  0.7668  0.6858  0.2621  1
  Br  Br5  1  0.9871  0.4526  0.6734  1
  O  O6  1  0.4974  0.2492  0.2698  1
  O  O7  1  0.5103  0.7949  0.3311  1
  O  O8  1  0.8378  0.4562  0.4305  1
  O  O9  1  0.8952  0.9954  0.3612  1
]