data_[K1H2I1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8797]
_cell_length_b [7.4134]
_cell_length_c [8.7318]
_cell_angle_alpha [66.1948]
_cell_angle_beta [73.8201]
_cell_angle_gamma [72.5988]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KH2ICl8]
_chemical_formula_sum '[K1 H2 I1 Cl8]'
_cell_volume [382.3852]
_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  1  0.0000  0.5000  0.5000  1.0
  H  H1  2  0.4433  0.7379  0.7170  1.0
  I  I2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0430  0.9709  0.2860  1.0
  Cl  Cl4  2  0.1423  0.3142  0.8645  1.0
  Cl  Cl5  2  0.3595  0.7888  0.9638  1.0
  Cl  Cl6  2  0.4981  0.7009  0.5745  1.0
]