data_[Al8Pb12]
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
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [11.4615]
_cell_length_b [6.8209]
_cell_length_c [7.1823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Al2Pb3]
_chemical_formula_sum '[Al8 Pb12]'
_cell_volume [526.1850]
_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  0.0465  0.1033  0.6327  1
  Al  Al1  4  0.4644  0.2510  0.4217  1
  Pb  Pb2  4  0.0787  0.3959  0.3242  1
  Pb  Pb3  4  0.2657  0.0758  0.0501  1
  Pb  Pb4  4  0.3220  0.3997  0.7289  1
]