data_[K2Cu2W2S8]
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
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4865]
_cell_length_b [7.4002]
_cell_length_c [9.8144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCuWS4]
_chemical_formula_sum '[K2 Cu2 W2 S8]'
_cell_volume [383.7778]
_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  2  0.1809  0.2500  0.8441  1.0
  Cu  Cu1  2  0.3596  0.7500  0.7213  1.0
  W  W2  2  0.1408  0.2500  0.2783  1.0
  S  S3  4  0.3771  0.0043  0.2811  1.0
  S  S4  2  0.0045  0.7500  0.5322  1.0
  S  S5  2  0.1903  0.7500  0.9166  1.0
]