data_[Ba4Br8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4158]
_cell_length_b [8.4731]
_cell_length_c [8.4874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.4294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba(BrO3)2]
_chemical_formula_sum '[Ba4 Br8 O24]'
_cell_volume [699.4566]
_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
[
  Ba  Ba0  4  0.0000  0.1566  0.7500  1.0
  Br  Br1  8  0.1921  0.4898  0.1893  1.0
  O  O2  8  0.1019  0.3428  0.5848  1.0
  O  O3  8  0.1406  0.0455  0.1489  1.0
  O  O4  8  0.1890  0.4008  0.0073  1.0
]