data_[Hf3Al3Ni1Pd1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [7.0667]
_cell_length_b [7.0667]
_cell_length_c [3.5829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Hf3Al3NiPdAu]
_chemical_formula_sum '[Hf3 Al3 Ni1 Pd1 Au1]'
_cell_volume [154.9530]
_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  3  0.3439  0.0638  0.5000  1
  Al  Al1  3  0.0910  0.6681  0.0000  1
  Ni  Ni2  1  0.3333  0.6667  0.5000  1
  Pd  Pd3  1  0.6667  0.3333  0.0000  1
  Au  Au4  1  0.0000  0.0000  0.0000  1
]