data_[K4Cu4As2S8]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3070]
_cell_length_b [3.7790]
_cell_length_c [7.4543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Cu2AsS4]
_chemical_formula_sum '[K4 Cu4 As2 S8]'
_cell_volume [378.1079]
_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  0.1323  0.0000  0.5518  1.0
  Cu  Cu1  4  0.1882  0.5000  0.9866  1.0
  As  As2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0218  0.5000  0.7797  1.0
  S  S4  4  0.1941  0.0000  0.1714  1.0
]