data_[Na2Al12Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1390]
_cell_length_b [4.3727]
_cell_length_c [9.8064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na(Al2Au)3]
_chemical_formula_sum '[Na2 Al12 Au6]'
_cell_volume [391.4374]
_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  2  0.0514  0.7500  0.3159  1
  Al  Al1  2  0.1013  0.2500  0.0401  1
  Al  Al2  2  0.2055  0.7500  0.6324  1
  Al  Al3  2  0.2909  0.2500  0.2585  1
  Al  Al4  2  0.2961  0.2500  0.7983  1
  Al  Al5  2  0.4183  0.7500  0.4290  1
  Al  Al6  2  0.4654  0.7500  0.9094  1
  Au  Au7  2  0.1750  0.7500  0.8977  1
  Au  Au8  2  0.2898  0.2500  0.5260  1
  Au  Au9  2  0.4098  0.7500  0.1669  1
]