data_[H40Pb96Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [15.5844]
_cell_length_b [15.5844]
_cell_length_c [15.5844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [H5(Pb4Au)3]
_chemical_formula_sum '[H40 Pb96 Au24]'
_cell_volume [3785.0692]
_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
[
  H  H0  24  0.0000  0.2500  0.3750  1
  H  H1  16  0.0000  0.0000  0.0000  1
  Pb  Pb2  96  0.0348  0.0586  0.6484  1
  Au  Au3  24  0.0000  0.2500  0.1250  1
]