data_Hf2AlRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlRe
_chemical_formula_sum   'Hf2 Al1 Re1'
_cell_volume   74.6
_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  0.68  0.0  0.39  1.0
  Hf  Hf2  1  0.68  0.0  0.64  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.52  1.0

data_Hf2AlRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlRe
_chemical_formula_sum   'Hf2 Al1 Re1'
_cell_volume   74.6
_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  Hf0  1  0.68  0.0  0.39  1.0
  Hf  Hf1  1  0.68  0.0  0.64  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.52  1.0

Hf Hf Al Re
Hf2ReAl crystallizes in the triclinic P1 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted single-bond geometry to one Re(1) and one Al(1) atom. The Hf(1)-Re(1) bond length is 1.48 Å. The Hf(1)-Al(1) bond length is 3.68 Å. In the second Hf site, Hf(2) is bonded in a distorted single-bond geometry to one Re(1) and one Al(1) atom. The Hf(2)-Re(1) bond length is 1.48 Å. The Hf(2)-Al(1) bond length is 3.35 Å. Re(1) is bonded in a distorted water-like geometry to one Hf(1) and one Hf(2) atom. Al(1) is bonded in a 6-coordinate geometry to one Hf(1), one Hf(2), and four equivalent Al(1) atoms. All Al(1)-Al(1) bond lengths are 2.97 Å.