data_[K4Cu4P8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.8306]
_cell_length_b [14.9962]
_cell_length_c [5.8062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCu(PS3)2]
_chemical_formula_sum '[K4 Cu4 P8 S24]'
_cell_volume [1093.6489]
_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  0.1267  0.2500  1.0
  Cu  Cu1  4  0.0000  0.3542  0.7500  1.0
  P  P2  8  0.2142  0.4314  0.1451  1.0
  S  S3  8  0.1296  0.0783  0.7966  1.0
  S  S4  8  0.1347  0.3182  0.0209  1.0
  S  S5  8  0.1472  0.4522  0.4519  1.0
]