data_[Al4Pb4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.0557]
_cell_length_b [5.5370]
_cell_length_c [8.4600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AlPbAu3]
_chemical_formula_sum '[Al4 Pb4 Au12]'
_cell_volume [419.0185]
_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
[
  Al  Al0  4  0.0772  0.6888  0.3669  1.0
  Pb  Pb1  4  0.3926  0.1219  0.7989  1.0
  Au  Au2  4  0.0904  0.1796  0.4190  1.0
  Au  Au3  4  0.2010  0.5481  0.6521  1.0
  Au  Au4  4  0.3632  0.6418  0.9696  1.0
]