data_[Hf2Pd8Au4]
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 [P1]
_cell_length_a [5.7173]
_cell_length_b [6.4204]
_cell_length_c [7.0362]
_cell_angle_alpha [111.3801]
_cell_angle_beta [91.0331]
_cell_angle_gamma [102.4986]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Hf(Pd2Au)2]
_chemical_formula_sum '[Hf2 Pd8 Au4]'
_cell_volume [233.4712]
_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  1  0.3322  0.6219  0.5326  1.0
  Hf  Hf1  1  0.9277  0.9235  0.9551  1.0
  Pd  Pd2  1  0.1250  0.7726  0.2499  1.0
  Pd  Pd3  1  0.1946  0.0365  0.6729  1.0
  Pd  Pd4  1  0.2676  0.3372  0.1065  1.0
  Pd  Pd5  1  0.4146  0.9093  0.9620  1.0
  Pd  Pd6  1  0.4740  0.2099  0.3987  1.0
  Pd  Pd7  1  0.6933  0.0447  0.6771  1.0
  Pd  Pd8  1  0.8374  0.6269  0.5396  1.0
  Pd  Pd9  1  0.9810  0.1971  0.3953  1.0
  Au  Au10  1  0.0554  0.4825  0.8231  1.0
  Au  Au11  1  0.5544  0.4784  0.8209  1.0
  Au  Au12  1  0.6265  0.7775  0.2539  1.0
  Au  Au13  1  0.7663  0.3321  0.1126  1.0
]