data_[Cd12Ga4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0247]
_cell_length_b [9.1506]
_cell_length_c [6.0194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3GaAu]
_chemical_formula_sum '[Cd12 Ga4 Au4]'
_cell_volume [456.8204]
_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  8  0.1728  0.2452  0.1921  1.0
  Cd  Cd1  4  0.0782  0.5000  0.7966  1.0
  Ga  Ga2  4  0.0686  0.0000  0.7914  1.0
  Au  Au3  4  0.2380  0.0000  0.5106  1.0
]