data_[K2I2O8]
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 [P2_1/c]
_cell_length_a [6.3212]
_cell_length_b [5.3349]
_cell_length_c [5.3351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KIO4]
_chemical_formula_sum '[K2 I2 O8]'
_cell_volume [179.9124]
_cell_formula_units_Z [2]
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  0.5000  0.0000  0.5000  1.0
  I  I1  2  0.0000  0.0000  0.0000  1.0
  O  O2  4  0.0902  0.6981  0.2031  1.0
  O  O3  4  0.2757  0.0913  0.0191  1.0
]