data_[Pd4Pb16Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0311]
_cell_length_b [13.1476]
_cell_length_c [6.2079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PdPb4Au]
_chemical_formula_sum '[Pd4 Pb16 Au4]'
_cell_volume [648.4004]
_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  4  0.0000  0.0064  0.7500  1.0
  Pb  Pb1  8  0.1247  0.1767  0.0942  1.0
  Pb  Pb2  8  0.2003  0.4308  0.2985  1.0
  Au  Au3  4  0.0000  0.3659  0.7500  1.0
]