data_[Pd8Pb6S2]
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 [Pmmn]
_cell_length_a [5.7300]
_cell_length_b [9.1680]
_cell_length_c [6.3696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pd4Pb3S]
_chemical_formula_sum '[Pd8 Pb6 S2]'
_cell_volume [334.6116]
_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
[
  Pd  Pd0  4  0.0000  0.2474  0.8132  1
  Pd  Pd1  4  0.2433  0.5000  0.0037  1
  Pb  Pb2  4  0.0000  0.2239  0.2523  1
  Pb  Pb3  2  0.0000  0.5000  0.5781  1
  S  S4  2  0.0000  0.0000  0.6830  1
]