data_HfV2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   144.98
_cell_angle_beta   128.39
_cell_angle_gamma   63.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Ir
_chemical_formula_sum   'Hf1 V2 Ir1'
_cell_volume   61.49
_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  0.0  0.0  0.39  1.0
  V  V2  1  0.0  0.0  0.04  1.0
  V  V3  1  0.56  0.0  0.08  1.0
  Ir  Ir1  1  0.0  0.25  0.26  1.0

data_HfV2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.5
_cell_length_c   5.17
_cell_angle_alpha   115.8
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfV2Ir
_chemical_formula_sum   'Hf1 V2 Ir1'
_cell_volume   61.49
_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  0.61  0.61  0.61  1.0
  V  V1  1  0.47  0.92  0.47  1.0
  V  V2  1  0.96  0.96  0.96  1.0
  Ir  Ir3  1  0.74  0.99  0.99  1.0

Hf V V Ir
HfV2Ir crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfV2Ir cluster. Hf(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Ir(1) atom. The Hf(1)-V(1) bond length is 1.85 Å. The Hf(1)-V(2) bond length is 1.81 Å. The Hf(1)-Ir(1) bond length is 1.89 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one Hf(1) and one Ir(1) atom. The V(1)-Ir(1) bond length is 0.75 Å. In the second V site, V(2) is bonded in a distorted single-bond geometry to one Hf(1) atom. Ir(1) is bonded in a single-bond geometry to one Hf(1) and one V(1) atom.