data_[Cd12Ag2Au4]
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 [9.1177]
_cell_length_b [4.5022]
_cell_length_c [9.0370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0190]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd6AgAu2]
_chemical_formula_sum '[Cd12 Ag2 Au4]'
_cell_volume [362.8374]
_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  4  0.0026  0.0000  0.8226  1
  Cd  Cd1  4  0.1632  0.5000  0.3953  1
  Cd  Cd2  4  0.1657  0.5000  0.0546  1
  Ag  Ag3  2  0.0000  0.0000  0.5000  1
  Au  Au4  4  0.1738  0.5000  0.7226  1
]