data_Hf2AlRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlRh
_chemical_formula_sum   'Hf2 Al1 Rh1'
_cell_volume   72.33
_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  0.21  0.0  0.09  1.0
  Hf  Hf2  1  0.0  0.0  0.23  1.0
  Al  Al0  1  0.0  0.0  0.13  1.0
  Rh  Rh3  1  0.21  0.0  0.5  1.0

data_Hf2AlRh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Hf2AlRh
_chemical_formula_sum   'Hf2 Al1 Rh1'
_cell_volume   72.34
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.23  1.0
  Hf  Hf1  1  0.21  0.0  0.09  1.0
  Al  Al2  1  0.0  0.0  0.13  1.0
  Rh  Rh3  1  0.21  0.0  0.5  1.0

Hf Hf Al Rh
Hf2RhAl crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one Hf2RhAl cluster. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a single-bond geometry to one Al(1) atom. The Hf(1)-Al(1) bond length is 0.71 Å. In the second Hf site, Hf(2) is bonded in a distorted single-bond geometry to one Rh(1) and one Al(1) atom. The Hf(2)-Rh(1) bond length is 2.09 Å. The Hf(2)-Al(1) bond length is 0.72 Å. Rh(1) is bonded in a single-bond geometry to one Hf(2) atom. Al(1) is bonded in a distorted bent 120 degrees geometry to one Hf(1) and one Hf(2) atom.