data_[Al8Pd4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.0752]
_cell_length_b [7.3892]
_cell_length_c [5.9156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al2PdAu]
_chemical_formula_sum '[Al8 Pd4 Au4]'
_cell_volume [265.2884]
_cell_formula_units_Z [4]
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  8  0.1932  0.4281  0.4102  1
  Pd  Pd1  4  0.0000  0.2870  0.7500  1
  Au  Au2  4  0.0000  0.1268  0.2500  1
]