data_[K24I9Br9O3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.5332]
_cell_length_b [9.5332]
_cell_length_c [24.2465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K8I3Br3O]
_chemical_formula_sum '[K24 I9 Br9 O3]'
_cell_volume [1908.3512]
_cell_formula_units_Z [3]
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
[
  K  K0  18  0.0649  0.5324  0.7295  1
  K  K1  6  0.0000  0.0000  0.2565  1
  I  I2  9  0.0000  0.5000  0.5000  1
  Br  Br3  9  0.0000  0.5000  0.0000  1
  O  O4  3  -0.0000  -0.0000  0.0000  1
]