data_[Al4Cd6Au8]
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 [12.3813]
_cell_length_b [3.8900]
_cell_length_c [8.8937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2Cd3Au4]
_chemical_formula_sum '[Al4 Cd6 Au8]'
_cell_volume [370.3581]
_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  0.1768  0.5000  0.3402  1.0
  Cd  Cd1  4  0.1183  0.5000  0.7073  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.0850  0.0000  0.4239  1.0
  Au  Au4  4  0.1961  0.5000  0.0724  1.0
]