data_[Hf4Pd10Au10]
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 [12.0437]
_cell_length_b [4.0673]
_cell_length_c [9.3059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2(PdAu)5]
_chemical_formula_sum '[Hf4 Pd10 Au10]'
_cell_volume [410.7559]
_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  0.0852  0.0000  0.7451  1.0
  Pd  Pd1  4  0.1625  0.0000  0.4963  1.0
  Pd  Pd2  4  0.2401  0.5000  0.7470  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  4  0.0859  0.5000  0.2524  1.0
  Au  Au5  4  0.1643  0.5000  0.9994  1.0
  Au  Au6  2  0.0000  0.5000  0.5000  1.0
]