data_[Cd36Ag3Au21]
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 [13.8742]
_cell_length_b [13.8742]
_cell_length_c [7.8657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cd12AgAu7]
_chemical_formula_sum '[Cd36 Ag3 Au21]'
_cell_volume [1311.2367]
_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  18  0.0000  0.2744  0.0000  1
  Cd  Cd1  18  0.1098  0.5549  0.0499  1
  Ag  Ag2  3  0.0000  0.0000  0.0000  1
  Au  Au3  18  0.1014  0.2027  0.7632  1
  Au  Au4  3  0.0000  0.0000  0.5000  1
]