data_[Na12Cd6Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8804]
_cell_length_b [5.1435]
_cell_length_c [12.2111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2449]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na6Cd3Au]
_chemical_formula_sum '[Na12 Cd6 Au2]'
_cell_volume [526.5822]
_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  0.0346  0.7500  0.3988  1
  Na  Na1  2  0.1468  0.2500  0.2016  1
  Na  Na2  2  0.1975  0.7500  0.0516  1
  Na  Na3  2  0.2750  0.2500  0.4834  1
  Na  Na4  2  0.4507  0.7500  0.6173  1
  Na  Na5  2  0.4770  0.2500  0.0771  1
  Cd  Cd6  2  0.1345  0.2500  0.8763  1
  Cd  Cd7  2  0.1723  0.7500  0.7310  1
  Cd  Cd8  2  0.3954  0.2500  0.7639  1
  Au  Au9  2  0.3502  0.7500  0.3378  1
]