data_[Pb24Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.1500]
_cell_length_b [17.7966]
_cell_length_c [5.8689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Pb3Au2]
_chemical_formula_sum '[Pb24 Au16]'
_cell_volume [1060.1329]
_cell_formula_units_Z [8]
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
[
  Pb  Pb0  16  0.0785  0.2023  0.8316  1.0
  Pb  Pb1  8  0.0000  0.0000  0.0408  1.0
  Au  Au2  16  0.0951  0.1090  0.3980  1.0
]