data_[Si4H4Pb8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.4043]
_cell_length_b [8.5366]
_cell_length_c [9.7994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [SiH(PbS2)2]
_chemical_formula_sum '[Si4 H4 Pb8 S16]'
_cell_volume [703.0517]
_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
[
  Si  Si0  4  0.0000  0.0000  0.5000  1
  H  H1  4  0.2500  0.2500  0.2500  1
  Pb  Pb2  4  0.0000  0.0000  0.0000  1
  Pb  Pb3  4  0.2500  0.2500  0.7500  1
  S  S4  8  0.0000  0.0264  0.7176  1
  S  S5  8  0.2386  0.2500  0.4318  1
]