data_[K2H4S8]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4892]
_cell_length_b [8.6674]
_cell_length_c [10.3015]
_cell_angle_alpha [66.4829]
_cell_angle_beta [78.9218]
_cell_angle_gamma [87.7894]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K(HS2)2]
_chemical_formula_sum '[K2 H4 S8]'
_cell_volume [360.3666]
_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  1  0.6602  0.9463  0.4751  1
  K  K1  1  0.8799  0.9933  0.9971  1
  H  H2  1  0.1931  0.4937  0.6769  1
  H  H3  1  0.3060  0.5640  0.3368  1
  H  H4  1  0.7782  0.1979  0.1704  1
  H  H5  1  0.9336  0.8289  0.7978  1
  S  S6  1  0.0796  0.2463  0.1394  1
  S  S7  1  0.2074  0.7575  0.8261  1
  S  S8  1  0.2609  0.0089  0.2341  1
  S  S9  1  0.4691  0.9782  0.7690  1
  S  S10  1  0.5874  0.6351  0.3154  1
  S  S11  1  0.6891  0.3739  0.6479  1
  S  S12  1  0.7962  0.4198  0.4292  1
  S  S13  1  0.9093  0.5562  0.6847  1
]