data_[Si2Pb4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7386]
_cell_length_b [6.5964]
_cell_length_c [8.4873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Si(PbS2)2]
_chemical_formula_sum '[Si2 Pb4 S8]'
_cell_volume [359.0945]
_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
[
  Si  Si0  2  0.2886  0.2500  0.2110  1.0
  Pb  Pb1  2  0.2413  0.7500  0.9449  1.0
  Pb  Pb2  2  0.2628  0.7500  0.4418  1.0
  S  S3  4  0.4982  0.5012  0.2742  1.0
  S  S4  2  0.0805  0.2500  0.3560  1.0
  S  S5  2  0.1259  0.2500  0.9522  1.0
]