data_Hf2AlPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlPd
_chemical_formula_sum   'Hf2 Al1 Pd1'
_cell_volume   74.85
_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  Hf1  1  0.62  0.62  0.06  1.0
  Hf  Hf2  1  0.0  0.0  0.98  1.0
  Al  Al0  1  0.0  0.0  0.11  1.0
  Pd  Pd3  1  0.62  0.62  0.77  1.0

data_Hf2AlPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2AlPd
_chemical_formula_sum   'Hf4 Al2 Pd2'
_cell_volume   149.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.98  1.0
  Hf  Hf1  2  0.12  0.5  0.06  1.0
  Al  Al2  2  0.0  0.0  0.11  1.0
  Pd  Pd3  2  0.12  0.5  0.77  1.0

Hf Hf Al Pd
Hf2PdAl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Hf2PdAl clusters. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 2-coordinate geometry to one Pd(1) and one Al(1) atom. The Hf(1)-Pd(1) bond length is 2.14 Å. The Hf(1)-Al(1) bond length is 1.78 Å. In the second Hf site, Hf(2) is bonded in a single-bond geometry to one Pd(1) and one Al(1) atom. The Hf(2)-Pd(1) bond length is 2.31 Å. The Hf(2)-Al(1) bond length is 0.95 Å. Pd(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Hf(2) atom. Al(1) is bonded in a single-bond geometry to one Hf(1) and one Hf(2) atom.