data_[Cd8Ag6Au4]
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 [12.9233]
_cell_length_b [4.3318]
_cell_length_c [6.6412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd4Ag3Au2]
_chemical_formula_sum '[Cd8 Ag6 Au4]'
_cell_volume [350.9742]
_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  0.0493  0.5000  0.3214  1.0
  Cd  Cd1  4  0.2230  0.0000  0.3198  1.0
  Ag  Ag2  4  0.1109  0.0000  0.6622  1.0
  Ag  Ag3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  4  0.1669  0.5000  0.0016  1.0
]