data_[Pb40Au24]
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 [Fmmm]
_cell_length_a [6.4426]
_cell_length_b [16.2370]
_cell_length_c [16.4791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Pb5Au3]
_chemical_formula_sum '[Pb40 Au24]'
_cell_volume [1723.8369]
_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  0.0000  0.1054  0.1831  1.0
  Pb  Pb1  16  0.0000  0.1831  0.3938  1.0
  Pb  Pb2  8  0.2488  0.0000  0.5000  1.0
  Au  Au3  8  0.0000  0.0000  0.3391  1.0
  Au  Au4  8  0.0000  0.1612  0.0000  1.0
  Au  Au5  8  0.2500  0.2500  0.2500  1.0
]