data_[K4Zn2Cu4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.9181]
_cell_length_b [3.7751]
_cell_length_c [7.7372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2Zn(CuS2)2]
_chemical_formula_sum '[K4 Zn2 Cu4 S8]'
_cell_volume [389.4367]
_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  0.4715  0.0000  0.7671  1.0
  K  K1  2  0.4749  0.0000  0.2627  1.0
  Zn  Zn2  2  0.2232  0.0000  0.9260  1.0
  Cu  Cu3  2  0.2251  0.0000  0.3607  1.0
  Cu  Cu4  2  0.2253  0.5000  0.6333  1.0
  S  S5  2  0.1115  0.0000  0.0895  1.0
  S  S6  2  0.1248  0.0000  0.5871  1.0
  S  S7  2  0.3209  0.5000  0.4375  1.0
  S  S8  2  0.3253  0.5000  0.9360  1.0
]