data_[Al2Cd6Au12]
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 [P2_1/m]
_cell_length_a [8.5385]
_cell_length_b [4.5109]
_cell_length_c [9.8810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0822]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Al(CdAu2)3]
_chemical_formula_sum '[Al2 Cd6 Au12]'
_cell_volume [373.4812]
_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  2  0.0502  0.2500  0.4002  1
  Cd  Cd1  2  0.2329  0.2500  0.9988  1
  Cd  Cd2  2  0.3647  0.7500  0.7838  1
  Cd  Cd3  2  0.4630  0.2500  0.6060  1
  Au  Au4  2  0.0570  0.7500  0.8639  1
  Au  Au5  2  0.1286  0.2500  0.6769  1
  Au  Au6  2  0.1524  0.7500  0.1692  1
  Au  Au7  2  0.2168  0.7500  0.4884  1
  Au  Au8  2  0.3238  0.2500  0.3146  1
  Au  Au9  2  0.4571  0.7500  0.0866  1
]