data_[Al2Pd8Au4]
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 [P1]
_cell_length_a [5.5777]
_cell_length_b [6.5997]
_cell_length_c [7.1455]
_cell_angle_alpha [114.3536]
_cell_angle_beta [100.6142]
_cell_angle_gamma [101.5463]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Al(Pd2Au)2]
_chemical_formula_sum '[Al2 Pd8 Au4]'
_cell_volume [224.0508]
_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  1  0.7393  0.4868  0.3009  1.0
  Al  Al1  1  0.9974  0.0155  0.1363  1.0
  Pd  Pd2  1  0.1025  0.8674  0.4249  1.0
  Pd  Pd3  1  0.2436  0.4365  0.2986  1.0
  Pd  Pd4  1  0.2541  0.1860  0.8770  1.0
  Pd  Pd5  1  0.5035  0.0689  0.1774  1.0
  Pd  Pd6  1  0.6096  0.8731  0.4505  1.0
  Pd  Pd7  1  0.6510  0.6409  0.0356  1.0
  Pd  Pd8  1  0.7735  0.1982  0.9213  1.0
  Pd  Pd9  1  0.8780  0.7438  0.7238  1.0
  Au  Au10  1  0.1437  0.6185  0.0144  1.0
  Au  Au11  1  0.3824  0.7609  0.7341  1.0
  Au  Au12  1  0.4954  0.3082  0.6029  1.0
  Au  Au13  1  0.9758  0.2954  0.5523  1.0
]