data_[Pd12Pb24Au4]
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 [Cmc2_1]
_cell_length_a [10.3401]
_cell_length_b [14.5922]
_cell_length_c [6.7979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pd3Pb6Au]
_chemical_formula_sum '[Pd12 Pb24 Au4]'
_cell_volume [1025.7114]
_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  8  0.1460  0.1229  0.9340  1.0
  Pd  Pd1  4  0.0000  0.4155  0.8760  1.0
  Pb  Pb2  8  0.1851  0.2919  0.7179  1.0
  Pb  Pb3  8  0.1858  0.4745  0.1565  1.0
  Pb  Pb4  4  0.0000  0.0293  0.2490  1.0
  Pb  Pb5  4  0.0000  0.2620  0.1741  1.0
  Au  Au6  4  0.0000  0.1623  0.5693  1.0
]