data_[K4P8H4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5782]
_cell_length_b [16.0683]
_cell_length_c [5.7165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KP2HS6]
_chemical_formula_sum '[K4 P8 H4 S24]'
_cell_volume [1135.2891]
_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  0.0000  0.1068  0.7500  1.0
  P  P1  8  0.2111  0.4349  0.4330  1.0
  H  H2  4  0.0000  0.3516  0.2500  1.0
  S  S3  8  0.1280  0.3324  0.4458  1.0
  S  S4  8  0.1308  0.0784  0.3810  1.0
  S  S5  8  0.1490  0.4521  0.0257  1.0
]