data_[Cd9Ag6Au24]
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 [R-3m]
_cell_length_a [5.4537]
_cell_length_b [5.4537]
_cell_length_c [31.3663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cd3(AgAu4)2]
_chemical_formula_sum '[Cd9 Ag6 Au24]'
_cell_volume [807.9290]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1839  1
  Cd  Cd1  3  0.0000  0.0000  0.0000  1
  Ag  Ag2  6  0.0000  0.0000  0.3604  1
  Au  Au3  18  0.0001  0.5000  0.2289  1
  Au  Au4  6  0.0000  0.0000  0.2749  1
]