data_[Na12Cd4Au8]
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/c]
_cell_length_a [7.8274]
_cell_length_b [9.4156]
_cell_length_c [8.9009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3CdAu2]
_chemical_formula_sum '[Na12 Cd4 Au8]'
_cell_volume [597.7340]
_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  4  0.1737  0.5276  0.7112  1
  Na  Na1  4  0.2924  0.1153  0.8577  1
  Na  Na2  4  0.4023  0.6668  0.1912  1
  Cd  Cd3  4  0.0394  0.1544  0.4688  1
  Au  Au4  4  0.1517  0.6823  0.3804  1
  Au  Au5  4  0.4240  0.1169  0.5516  1
]