data_[Hf10Pd24Au4]
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 [C2/m]
_cell_length_a [15.2785]
_cell_length_b [5.4918]
_cell_length_c [8.9180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf5(Pd6Au)2]
_chemical_formula_sum '[Hf10 Pd24 Au4]'
_cell_volume [718.5302]
_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  4  0.1292  0.5000  0.8766  1
  Hf  Hf1  4  0.1966  0.5000  0.3799  1
  Hf  Hf2  2  0.0000  0.0000  0.5000  1
  Pd  Pd3  8  0.1513  0.2544  0.6211  1
  Pd  Pd4  8  0.2021  0.2389  0.1187  1
  Pd  Pd5  4  0.0188  0.5000  0.3592  1
  Pd  Pd6  4  0.1328  0.0000  0.3355  1
  Au  Au7  4  0.0000  0.2446  0.0000  1
]