data_[K8H10I2]
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 [Pmmn]
_cell_length_a [9.8284]
_cell_length_b [12.0898]
_cell_length_c [4.5381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [K4H5I]
_chemical_formula_sum '[K8 H10 I2]'
_cell_volume [539.2299]
_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  0.2477  0.2402  1
  K  K1  4  0.1996  0.5000  0.7819  1
  H  H2  8  0.2352  0.2537  0.5840  1
  H  H3  2  0.0000  0.5000  0.3078  1
  I  I4  2  0.0000  0.0000  0.6990  1
]