data_[K4Cu4Si2S8]
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
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9979]
_cell_length_b [3.7157]
_cell_length_c [7.4254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Cu2SiS4]
_chemical_formula_sum '[K4 Cu4 Si2 S8]'
_cell_volume [359.7320]
_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  4  0.1373  0.0000  0.5611  1
  Cu  Cu1  4  0.1891  0.5000  0.9766  1
  Si  Si2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.0163  0.5000  0.7938  1
  S  S4  4  0.1800  0.0000  0.1630  1
]