data_[K4H2S2I2]
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
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0167]
_cell_length_b [4.9578]
_cell_length_c [9.5631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [K2HSI]
_chemical_formula_sum '[K4 H2 S2 I2]'
_cell_volume [329.6934]
_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  2  0.2173  0.2500  0.3552  1.0
  K  K1  2  0.2584  0.2500  0.9028  1.0
  H  H2  2  0.3719  0.7500  0.2321  1.0
  S  S3  2  0.2307  0.7500  0.1210  1.0
  I  I4  2  0.2774  0.7500  0.6319  1.0
]