data_[Al4Pd12Au8]
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 [Cmmm]
_cell_length_a [4.2479]
_cell_length_b [12.7338]
_cell_length_c [7.0878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [AlPd3Au2]
_chemical_formula_sum '[Al4 Pd12 Au8]'
_cell_volume [383.3909]
_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  4  0.0000  0.3422  0.0000  1
  Pd  Pd1  8  0.0000  0.1752  0.2195  1
  Pd  Pd2  4  0.0000  0.5000  0.2403  1
  Au  Au3  4  0.0000  0.3326  0.5000  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
  Au  Au5  2  0.0000  0.0000  0.5000  1
]