data_[Hf2Pd3Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9012]
_cell_length_b [4.9288]
_cell_length_c [9.0457]
_cell_angle_alpha [79.5376]
_cell_angle_beta [78.8069]
_cell_angle_gamma [76.3018]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hf2(PdAu2)3]
_chemical_formula_sum '[Hf2 Pd3 Au6]'
_cell_volume [206.1437]
_cell_formula_units_Z [1]
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
[
  Hf  Hf0  2  0.0579  0.0941  0.6928  1
  Pd  Pd1  2  0.3609  0.1284  0.3808  1
  Pd  Pd2  1  0.0000  0.0000  0.0000  1
  Au  Au3  2  0.1257  0.4252  0.1328  1
  Au  Au4  2  0.2230  0.6013  0.5547  1
  Au  Au5  2  0.4816  0.2157  0.8549  1
]