data_[Al4Pd2Au12]
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/m]
_cell_length_a [10.5568]
_cell_length_b [4.3705]
_cell_length_c [8.5015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2PdAu6]
_chemical_formula_sum '[Al4 Pd2 Au12]'
_cell_volume [307.6210]
_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  0.1500  0.0000  0.7794  1.0
  Pd  Pd1  2  0.0000  0.5000  0.5000  1.0
  Au  Au2  4  0.0303  0.5000  0.8553  1.0
  Au  Au3  4  0.1600  0.0000  0.4746  1.0
  Au  Au4  4  0.1759  0.0000  0.1379  1.0
]