data_[Pd12Pb8S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [8.4836]
_cell_length_b [8.4836]
_cell_length_c [8.4836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [199]
_chemical_formula_structural [Pd3(PbS)2]
_chemical_formula_sum '[Pd12 Pb8 S8]'
_cell_volume [610.5698]
_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
[
  Pd  Pd0  12  0.0000  0.2500  0.9821  1.0
  Pb  Pb1  8  0.2476  0.2524  0.7476  1.0
  S  S2  8  0.0249  0.4751  0.5249  1.0
]