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 [Pca2_1]
_cell_length_a [15.5308]
_cell_length_b [7.1831]
_cell_length_c [6.1100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [KIO3]
_chemical_formula_sum '[K8 I8 O24]'
_cell_volume [681.6215]
_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  4  0.1982  0.8866  0.0005  1
  K  K1  4  0.2019  0.3763  0.0118  1
  I  I2  4  0.0798  0.6317  0.4118  1
  I  I3  4  0.0845  0.1379  0.4789  1
  O  O4  4  0.0491  0.8236  0.2240  1
  O  O5  4  0.0495  0.4367  0.2311  1
  O  O6  4  0.1062  0.9379  0.6598  1
  O  O7  4  0.1211  0.3325  0.6521  1
  O  O8  4  0.1844  0.1245  0.3183  1
  O  O9  4  0.1951  0.6354  0.3481  1
]