data_[K8Pb4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.8046]
_cell_length_b [8.1402]
_cell_length_c [7.8235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2PbS2]
_chemical_formula_sum '[K8 Pb4 S8]'
_cell_volume [668.3085]
_cell_formula_units_Z [4]
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  0.0262  0.7410  0.5100  1.0
  K  K1  4  0.3194  0.1558  0.5145  1.0
  Pb  Pb2  4  0.3579  0.6497  0.4396  1.0
  S  S3  4  0.1473  0.0311  0.7850  1.0
  S  S4  4  0.4624  0.0404  0.2195  1.0
]