data_Hf2CoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03
_cell_length_b   8.03
_cell_length_c   8.03
_cell_angle_alpha   23.01
_cell_angle_beta   23.01
_cell_angle_gamma   23.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CoIr
_chemical_formula_sum   'Hf2 Co1 Ir1'
_cell_volume   69.54
_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  0.0  0.0  0.99  1.0
  Hf  Hf2  1  0.0  0.0  0.46  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.73  1.0

data_Hf2CoIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   3.2
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   103.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2CoIr
_chemical_formula_sum   'Hf4 Co2 Ir2'
_cell_volume   139.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.01  1.0
  Hf  Hf1  2  0.0  0.0  0.54  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.27  1.0

Hf Hf Co Ir
Hf2IrCo is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Hf2IrCo clusters. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a single-bond geometry to one Ir(1) and one Co(1) atom. The Hf(1)-Ir(1) bond length is 2.16 Å. The Hf(1)-Co(1) bond length is 0.04 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 2.16 Å. Ir(1) is bonded in a linear geometry to one Hf(1) and one Hf(2) atom. Co(1) is bonded in a single-bond geometry to one Hf(1) atom.