data_[Cd24Ag4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.6795]
_cell_length_b [14.4967]
_cell_length_c [5.7678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cd6AgAu3]
_chemical_formula_sum '[Cd24 Ag4 Au12]'
_cell_volume [892.9595]
_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
[
  Cd  Cd0  8  0.1527  0.4812  0.1045  1.0
  Cd  Cd1  8  0.2471  0.1917  0.3655  1.0
  Cd  Cd2  4  0.0000  0.0248  0.2341  1.0
  Cd  Cd3  4  0.0000  0.2397  0.1244  1.0
  Ag  Ag4  4  0.0000  0.1875  0.5950  1.0
  Au  Au5  8  0.1830  0.1157  0.9031  1.0
  Au  Au6  4  0.0000  0.3752  0.7856  1.0
]