data_[Al8Si4Pb4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [C2/c]
_cell_length_a [12.8772]
_cell_length_b [13.3631]
_cell_length_c [6.7997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al2SiPbS6]
_chemical_formula_sum '[Al8 Si4 Pb4 S24]'
_cell_volume [1039.2127]
_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
[
  Al  Al0  8  0.2327  0.4106  0.8735  1.0
  Si  Si1  4  0.0000  0.1968  0.7500  1.0
  Pb  Pb2  4  0.0000  0.3766  0.2500  1.0
  S  S3  8  0.0812  0.1128  0.0494  1.0
  S  S4  8  0.1317  0.2710  0.6892  1.0
  S  S5  8  0.1579  0.4705  0.0931  1.0
]