data_[Cd18Ga3Au36]
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 [R-3]
_cell_length_a [9.9460]
_cell_length_b [9.9460]
_cell_length_c [14.2312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd6GaAu12]
_chemical_formula_sum '[Cd18 Ga3 Au36]'
_cell_volume [1219.1824]
_cell_formula_units_Z [3]
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  18  0.0758  0.2286  0.6581  1.0
  Ga  Ga1  3  0.0000  0.0000  0.0000  1.0
  Au  Au2  18  0.0392  0.4600  0.1223  1.0
  Au  Au3  18  0.0506  0.8630  0.8596  1.0
]