data_[Pd4Pb12Au4]
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 [P2_1/c]
_cell_length_a [9.0526]
_cell_length_b [6.1137]
_cell_length_c [9.9786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PdPb3Au]
_chemical_formula_sum '[Pd4 Pb12 Au4]'
_cell_volume [509.0371]
_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  0.0007  0.7472  0.5025  1.0
  Pb  Pb1  4  0.1072  0.5111  0.7892  1.0
  Pb  Pb2  4  0.2838  0.0012  0.6796  1.0
  Pb  Pb3  4  0.2925  0.5005  0.5210  1.0
  Au  Au4  4  0.4409  0.1441  0.3856  1.0
]