data_[K4H4S4]
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 [Pmc2_1]
_cell_length_a [8.5206]
_cell_length_b [4.6320]
_cell_length_c [7.2389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [KHS]
_chemical_formula_sum '[K4 H4 S4]'
_cell_volume [285.7030]
_cell_formula_units_Z [4]
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  0.2501  0.2797  0.6434  1.0
  H  H1  2  0.0000  0.0216  0.4316  1.0
  H  H2  2  0.5000  0.2226  0.1855  1.0
  S  S3  2  0.0000  0.2158  0.2907  1.0
  S  S4  2  0.5000  0.2225  0.9981  1.0
]