data_[Cd16Ag6Au4]
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/m]
_cell_length_a [12.5752]
_cell_length_b [8.0593]
_cell_length_c [5.6774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd8Ag3Au2]
_chemical_formula_sum '[Cd16 Ag6 Au4]'
_cell_volume [569.3521]
_cell_formula_units_Z [2]
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  0.1184  0.3114  0.4249  1.0
  Cd  Cd1  4  0.0943  0.5000  0.8813  1.0
  Cd  Cd2  4  0.1937  0.0000  0.8187  1.0
  Ag  Ag3  4  0.0000  0.1734  0.0000  1.0
  Ag  Ag4  2  0.0000  0.0000  0.5000  1.0
  Au  Au5  4  0.2049  0.0000  0.3104  1.0
]