data_[K4Zn4Pb2S8]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8319]
_cell_length_b [4.0409]
_cell_length_c [7.8367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Zn2PbS4]
_chemical_formula_sum '[K4 Zn4 Pb2 S8]'
_cell_volume [465.1543]
_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  0.1229  0.0000  0.5410  1.0
  Zn  Zn1  4  0.1730  0.5000  0.9752  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0292  0.5000  0.7521  1.0
  S  S4  4  0.2112  0.0000  0.1667  1.0
]