data_[Hf8Pd8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.2685]
_cell_length_b [5.3688]
_cell_length_c [10.7089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [HfPd]
_chemical_formula_sum '[Hf8 Pd8]'
_cell_volume [302.9031]
_cell_formula_units_Z [8]
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  0.1577  0.0753  0.5145  1.0
  Hf  Hf1  4  0.1638  0.5977  0.3001  1.0
  Pd  Pd2  4  0.1664  0.5800  0.5546  1.0
  Pd  Pd3  4  0.1687  0.8937  0.7680  1.0
]