data_[Cd4Ga8Au20]
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 [Pbam]
_cell_length_a [7.0777]
_cell_length_b [9.1535]
_cell_length_c [9.0602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [CdGa2Au5]
_chemical_formula_sum '[Cd4 Ga8 Au20]'
_cell_volume [586.9699]
_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  0.0059  0.2199  0.5000  1
  Ga  Ga1  4  0.0000  0.5000  0.2492  1
  Ga  Ga2  4  0.0396  0.1755  0.0000  1
  Au  Au3  8  0.2282  0.7365  0.2373  1
  Au  Au4  4  0.0000  0.0000  0.2567  1
  Au  Au5  4  0.1933  0.4486  0.0000  1
  Au  Au6  4  0.2062  0.4989  0.5000  1
]