data_[Al18Cd3Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.3102]
_cell_length_b [12.3102]
_cell_length_c [8.2640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Al6CdAu12]
_chemical_formula_sum '[Al18 Cd3 Au36]'
_cell_volume [1084.5484]
_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
[
  Al  Al0  18  0.0621  0.5311  0.2410  1.0
  Cd  Cd1  3  0.0000  0.0000  0.0000  1.0
  Au  Au2  18  0.0000  0.3807  0.5000  1.0
  Au  Au3  18  0.0804  0.1608  0.2889  1.0
]