data_[Cd6Ga4Au8]
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 [12.2241]
_cell_length_b [4.0177]
_cell_length_c [8.9393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3(GaAu2)2]
_chemical_formula_sum '[Cd6 Ga4 Au8]'
_cell_volume [375.0836]
_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  0.1222  0.5000  0.7012  1.0
  Cd  Cd1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1666  0.5000  0.3293  1.0
  Au  Au3  4  0.0811  0.0000  0.4230  1.0
  Au  Au4  4  0.1960  0.5000  0.0647  1.0
]