data_[K8I8O24]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.8252]
_cell_length_b [9.0595]
_cell_length_c [9.0770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.8881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KIO3]
_chemical_formula_sum '[K8 I8 O24]'
_cell_volume [747.2075]
_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
[
  K  K0  2  0.0000  0.0028  0.5000  1.0
  K  K1  2  0.0000  0.4934  0.5000  1.0
  K  K2  2  0.0000  0.5027  0.0000  1.0
  K  K3  2  0.0000  0.9964  0.0000  1.0
  I  I4  4  0.2308  0.2599  0.4954  1.0
  I  I5  4  0.2322  0.7451  0.9631  1.0
  O  O6  4  0.0339  0.2292  0.2779  1.0
  O  O7  4  0.0344  0.7706  0.7894  1.0
  O  O8  4  0.2268  0.4632  0.4912  1.0
  O  O9  4  0.2327  0.5421  0.9497  1.0
  O  O10  4  0.2438  0.2305  0.7089  1.0
  O  O11  4  0.2468  0.7910  0.7805  1.0
]