data_[Pd14Pb2S4]
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 [I4/mmm]
_cell_length_a [4.1025]
_cell_length_b [4.1025]
_cell_length_c [19.8886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Pd7PbS2]
_chemical_formula_sum '[Pd14 Pb2 S4]'
_cell_volume [334.7337]
_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  8  0.0000  0.5000  0.1062  1
  Pd  Pd1  4  0.0000  0.5000  0.2500  1
  Pd  Pd2  2  0.0000  0.0000  0.5000  1
  Pb  Pb3  2  0.0000  0.0000  0.0000  1
  S  S4  4  0.0000  0.0000  0.3250  1
]