data_[K6I1O2]
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 [P4/mmm]
_cell_length_a [5.3918]
_cell_length_b [5.3918]
_cell_length_c [10.8314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [K6IO2]
_chemical_formula_sum '[K6 I1 O2]'
_cell_volume [314.8895]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.2508  1
  K  K1  1  0.5000  0.5000  0.0000  1
  K  K2  1  0.5000  0.5000  0.5000  1
  I  I3  1  0.0000  0.0000  0.5000  1
  O  O4  2  0.5000  0.5000  0.2498  1
]