data_[Cd8Br8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [18.9419]
_cell_length_b [4.9260]
_cell_length_c [8.8007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CdBrO3]
_chemical_formula_sum '[Cd8 Br8 O24]'
_cell_volume [791.9315]
_cell_formula_units_Z [8]
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
[
  Cd  Cd0  8  0.0655  0.0875  0.9971  1
  Br  Br1  8  0.1710  0.4240  0.3480  1
  O  O2  8  0.0884  0.4232  0.8188  1
  O  O3  8  0.1683  0.1494  0.4610  1
  O  O4  8  0.1696  0.2948  0.1690  1
]