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 [P2_1/c]
_cell_length_a [6.9789]
_cell_length_b [4.6679]
_cell_length_c [9.0968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KHS]
_chemical_formula_sum '[K4 H4 S4]'
_cell_volume [270.0303]
_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  0.2356  0.2486  0.4566  1
  H  H1  4  0.4378  0.5954  0.2336  1
  S  S2  4  0.2682  0.7435  0.7228  1
]