data_[Cd21Ag36Au3]
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-3]
_cell_length_a [12.6622]
_cell_length_b [12.6622]
_cell_length_c [8.6188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd7Ag12Au]
_chemical_formula_sum '[Cd21 Ag36 Au3]'
_cell_volume [1196.7279]
_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  0.0579  0.8159  0.9157  1.0
  Cd  Cd1  3  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  18  0.0551  0.8143  0.5794  1.0
  Ag  Ag3  18  0.0576  0.8346  0.2533  1.0
  Au  Au4  3  0.0000  0.0000  0.0000  1.0
]