data_[Cd8Ag12Au16]
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 [C2/c]
_cell_length_a [13.0294]
_cell_length_b [10.4641]
_cell_length_c [5.1611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd2Ag3Au4]
_chemical_formula_sum '[Cd8 Ag12 Au16]'
_cell_volume [694.4055]
_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  0.2272  0.4080  0.0330  1.0
  Ag  Ag1  8  0.0991  0.0639  0.4712  1.0
  Ag  Ag2  4  0.0000  0.4650  0.7500  1.0
  Au  Au3  8  0.0739  0.2172  0.9854  1.0
  Au  Au4  8  0.1525  0.3275  0.4977  1.0
]