data_Hf2GaIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   129.83
_cell_angle_beta   126.53
_cell_angle_gamma   76.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2GaIr
_chemical_formula_sum   'Hf2 Ga1 Ir1'
_cell_volume   72.04
_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  0.09  0.0  0.99  1.0
  Hf  Hf2  1  0.0  0.22  0.89  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.88  1.0

data_Hf2GaIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.44
_cell_length_c   4.93
_cell_angle_alpha   116.74
_cell_angle_beta   115.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2GaIr
_chemical_formula_sum   'Hf2 Ga1 Ir1'
_cell_volume   72.04
_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  0.1  0.01  0.1  1.0
  Hf  Hf1  1  0.11  0.33  0.33  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.12  0.12  0.12  1.0

Hf Hf Ga Ir
Hf2IrGa is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Hf2IrGa cluster. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 2-coordinate geometry to one Ir(1) and one Ga(1) atom. The Hf(1)-Ir(1) bond length is 0.46 Å. The Hf(1)-Ga(1) bond length is 0.49 Å. In the second Hf site, Hf(2) is bonded in a single-bond geometry to one Ir(1) atom. The Hf(2)-Ir(1) bond length is 1.05 Å. Ir(1) is bonded in a 3-coordinate geometry to one Hf(1), one Hf(2), and one Ga(1) atom. The Ir(1)-Ga(1) bond length is 0.60 Å. Ga(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Ir(1) atom.