data_[K4Pb2S6]
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 [P-1]
_cell_length_a [6.7449]
_cell_length_b [7.6526]
_cell_length_c [8.4927]
_cell_angle_alpha [76.5615]
_cell_angle_beta [74.7907]
_cell_angle_gamma [67.6166]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2PbS3]
_chemical_formula_sum '[K4 Pb2 S6]'
_cell_volume [386.7985]
_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  0.1450  0.4652  0.6903  1.0
  K  K1  2  0.3976  0.7878  0.8872  1.0
  Pb  Pb2  2  0.1550  0.9331  0.3056  1.0
  S  S3  2  0.1397  0.1876  0.0674  1.0
  S  S4  2  0.2363  0.0467  0.5426  1.0
  S  S5  2  0.3489  0.5942  0.2826  1.0
]