data_HfIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   4.48
_cell_angle_alpha   90.89
_cell_angle_beta   90.89
_cell_angle_gamma   34.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIr
_chemical_formula_sum   'Hf2 Ir2'
_cell_volume   71.92
_cell_formula_units_Z   2
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  0.65  0.0  0.36  1.0
  Hf  Hf1  1  0.44  0.0  0.12  1.0
  Ir  Ir2  1  0.13  0.0  0.12  1.0
  Ir  Ir3  1  0.96  0.0  0.37  1.0

data_HfIr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.16
_cell_length_b   4.48
_cell_length_c   5.32
_cell_angle_alpha   90.89
_cell_angle_beta   107.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfIr
_chemical_formula_sum   'Hf2 Ir2'
_cell_volume   71.92
_cell_formula_units_Z   2
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  2  0.0  0.12  0.6  1.0
  Ir  Ir1  2  0.0  0.13  0.92  1.0

Hf Hf Ir Ir
Hf Hf Ir Ir 0 1 o o o 0 3 o o o 1 2 o o o 2 3 - o o 
HfIr crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two HfIr clusters. Hf(1) is bonded in a distorted single-bond geometry to one Ir(1) atom. The Hf(1)-Ir(1) bond length is 1.68 Å. Ir(1) is bonded in a 1-coordinate geometry to one Hf(1) atom.