data_[Na13Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0925]
_cell_length_b [8.2169]
_cell_length_c [9.2715]
_cell_angle_alpha [66.8703]
_cell_angle_beta [89.3876]
_cell_angle_gamma [77.9255]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na13Au2]
_chemical_formula_sum '[Na13 Au2]'
_cell_volume [484.3703]
_cell_formula_units_Z [1]
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  0.0493  0.5613  0.6415  1.0
  Na  Na1  2  0.1696  0.0178  0.6535  1.0
  Na  Na2  2  0.2294  0.5800  0.0255  1.0
  Na  Na3  2  0.2879  0.0868  0.2581  1.0
  Na  Na4  2  0.4349  0.2280  0.8627  1.0
  Na  Na5  2  0.4841  0.3422  0.4330  1.0
  Na  Na6  1  0.0000  0.0000  0.0000  1.0
  Au  Au7  2  0.1991  0.7182  0.3092  1.0
]