data_[Cd8Ag12Au4]
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 [12.9571]
_cell_length_b [4.1964]
_cell_length_c [9.5221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2Ag3Au]
_chemical_formula_sum '[Cd8 Ag12 Au4]'
_cell_volume [459.2816]
_cell_formula_units_Z [4]
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  0.0325  0.5000  0.8648  1.0
  Cd  Cd1  4  0.2074  0.0000  0.8640  1.0
  Ag  Ag2  4  0.0440  0.0000  0.3797  1.0
  Ag  Ag3  4  0.1234  0.5000  0.6206  1.0
  Ag  Ag4  4  0.2105  0.5000  0.3801  1.0
  Au  Au5  4  0.1286  0.0000  0.1239  1.0
]