data_[Na12Pb12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8208]
_cell_length_b [10.9900]
_cell_length_c [16.4696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na3Pb3Au2]
_chemical_formula_sum '[Na12 Pb12 Au8]'
_cell_volume [872.5655]
_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
[
  Na  Na0  8  0.0000  0.0594  0.6120  1.0
  Na  Na1  4  0.0000  0.3087  0.7500  1.0
  Pb  Pb2  8  0.0000  0.3668  0.5437  1.0
  Pb  Pb3  4  0.0000  0.4057  0.2500  1.0
  Au  Au4  8  0.0000  0.2375  0.1167  1.0
]