data_[K10H2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9981]
_cell_length_b [4.9981]
_cell_length_c [34.5718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [K5HI4]
_chemical_formula_sum '[K10 H2 I8]'
_cell_volume [863.6331]
_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  4  0.0000  0.0000  0.0865  1.0
  K  K1  4  0.0000  0.0000  0.2997  1.0
  K  K2  2  0.0000  0.0000  0.5000  1.0
  H  H3  2  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.0000  0.1956  1.0
  I  I5  4  0.0000  0.0000  0.4029  1.0
]