data_[K16I4O16]
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 [Fmm2]
_cell_length_a [11.9661]
_cell_length_b [12.9351]
_cell_length_c [8.4552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [K4IO4]
_chemical_formula_sum '[K16 I4 O16]'
_cell_volume [1308.7213]
_cell_formula_units_Z [4]
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  8  0.0000  0.2142  0.1924  1
  K  K1  8  0.2141  0.0000  0.3571  1
  I  I2  4  0.0000  0.0000  0.9298  1
  O  O3  8  0.0000  0.1513  0.9089  1
  O  O4  8  0.1196  0.0000  0.0767  1
]