data_[Pb24Au8]
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 [I-42m]
_cell_length_a [12.2206]
_cell_length_b [12.2206]
_cell_length_c [6.0795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Pb3Au]
_chemical_formula_sum '[Pb24 Au8]'
_cell_volume [907.9368]
_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  8  0.0000  0.3591  0.5000  1.0
  Pb  Pb1  8  0.0959  0.9041  0.7441  1.0
  Pb  Pb2  8  0.2005  0.7995  0.2369  1.0
  Au  Au3  8  0.0000  0.2940  0.0000  1.0
]