data_[Cd8Ga8Au20]
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 [Cmce]
_cell_length_a [13.9332]
_cell_length_b [7.2047]
_cell_length_c [7.0925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Cd2Ga2Au5]
_chemical_formula_sum '[Cd8 Ga8 Au20]'
_cell_volume [711.9776]
_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  0.2052  0.0000  0.0000  1
  Ga  Ga1  8  0.0000  0.1512  0.6465  1
  Au  Au2  16  0.1261  0.1460  0.3457  1
  Au  Au3  4  0.0000  0.0000  0.0000  1
]