data_[Hf2Pd6Au4]
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 [Pnnm]
_cell_length_a [5.5200]
_cell_length_b [8.4648]
_cell_length_c [4.4043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [HfPd3Au2]
_chemical_formula_sum '[Hf2 Pd6 Au4]'
_cell_volume [205.7932]
_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
[
  Hf  Hf0  2  0.0000  0.5000  0.5000  1
  Pd  Pd1  4  0.2379  0.6543  0.0000  1
  Pd  Pd2  2  0.0000  0.0000  0.0000  1
  Au  Au3  4  0.2329  0.8355  0.5000  1
]