data_[Al2Cd4Au16]
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 [17.2788]
_cell_length_b [4.1654]
_cell_length_c [6.1066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al(CdAu4)2]
_chemical_formula_sum '[Al2 Cd4 Au16]'
_cell_volume [427.5263]
_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  0.0000  0.5000  0.0000  1.0
  Cd  Cd1  4  0.1953  0.0000  0.6128  1.0
  Au  Au2  4  0.0080  0.0000  0.2718  1.0
  Au  Au3  4  0.1133  0.5000  0.7965  1.0
  Au  Au4  4  0.1285  0.5000  0.3116  1.0
  Au  Au5  4  0.2080  0.0000  0.1056  1.0
]