data_[Cd6Ag2Au8]
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 [I4/mmm]
_cell_length_a [4.3101]
_cell_length_b [4.3101]
_cell_length_c [16.4013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cd3AgAu4]
_chemical_formula_sum '[Cd6 Ag2 Au8]'
_cell_volume [304.6901]
_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  0.0000  0.0000  0.2512  1.0
  Cd  Cd1  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.0000  0.0000  0.5000  1.0
  Au  Au3  8  0.0000  0.5000  0.1246  1.0
]