data_[Cd16Ag2Au6]
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 [9.4094]
_cell_length_b [9.5433]
_cell_length_c [7.5023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd8AgAu3]
_chemical_formula_sum '[Cd16 Ag2 Au6]'
_cell_volume [571.5371]
_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  0.1385  0.2500  0.7430  1
  Cd  Cd1  4  0.1386  0.5000  0.2430  1
  Cd  Cd2  4  0.1392  0.0000  0.2435  1
  Ag  Ag3  2  0.0000  0.0000  0.5000  1
  Au  Au4  4  0.0000  0.2498  0.0000  1
  Au  Au5  2  0.0000  0.5000  0.5000  1
]