data_[Al4Cd2Au16]
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 [C2/m]
_cell_length_a [14.8815]
_cell_length_b [4.1199]
_cell_length_c [6.7612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2CdAu8]
_chemical_formula_sum '[Al4 Cd2 Au16]'
_cell_volume [392.6598]
_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
[
  Al  Al0  4  0.2137  0.0000  0.6630  1.0
  Cd  Cd1  2  0.0000  0.5000  0.0000  1.0
  Au  Au2  4  0.0422  0.0000  0.7275  1.0
  Au  Au3  4  0.1044  0.5000  0.4675  1.0
  Au  Au4  4  0.1602  0.0000  0.2366  1.0
  Au  Au5  4  0.1781  0.5000  0.9323  1.0
]