data_[Sn4Bi4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3591]
_cell_length_b [18.0560]
_cell_length_c [12.0852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SnBiPb2S5]
_chemical_formula_sum '[Sn4 Bi4 Pb8 S20]'
_cell_volume [951.1963]
_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
[
  Sn  Sn0  4  0.0000  0.4500  0.4496  1.0
  Bi  Bi1  4  0.0000  0.2136  0.0212  1.0
  Pb  Pb2  4  0.0000  0.1195  0.3085  1.0
  Pb  Pb3  4  0.0000  0.1281  0.6771  1.0
  S  S4  4  0.0000  0.0425  0.0523  1.0
  S  S5  4  0.0000  0.2862  0.6697  1.0
  S  S6  4  0.0000  0.3217  0.3621  1.0
  S  S7  4  0.0000  0.3605  0.0113  1.0
  S  S8  4  0.0000  0.4846  0.7722  1.0
]