data_[Na6Pb8Au8]
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 [Immm]
_cell_length_a [4.6105]
_cell_length_b [8.1162]
_cell_length_c [15.9558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na3(PbAu)4]
_chemical_formula_sum '[Na6 Pb8 Au8]'
_cell_volume [597.0600]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.1109  1.0
  Na  Na1  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  8  0.0000  0.2078  0.3319  1.0
  Au  Au3  4  0.0000  0.3235  0.5000  1.0
  Au  Au4  4  0.0000  0.5000  0.2173  1.0
]