data_Hf2IrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.22
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2IrOs
_chemical_formula_sum   'Hf2 Ir1 Os1'
_cell_volume   73.55
_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  0.59  0.11  0.21  1.0
  Hf  Hf1  1  0.0  0.0  0.63  1.0
  Ir  Ir2  1  0.59  0.11  0.45  1.0
  Os  Os3  1  0.0  0.0  0.46  1.0

data_Hf2IrOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.22
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2IrOs
_chemical_formula_sum   'Hf2 Ir1 Os1'
_cell_volume   73.55
_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  0.63  1.0
  Hf  Hf1  1  0.59  0.11  0.21  1.0
  Os  Os2  1  0.0  0.0  0.46  1.0
  Ir  Ir3  1  0.59  0.11  0.45  1.0

Hf Hf Ir Os
Hf Hf Ir Os 0 2 o o o 1 3 o o o 2 3 + o o 
OsHfHfIr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfIr cluster and one OsHf cluster. In the HfIr cluster, Hf(1) is bonded in a single-bond geometry to one Ir(1) atom. The Hf(1)-Ir(1) bond length is 1.30 Å. Ir(1) is bonded in a distorted single-bond geometry to one Hf(1) atom. In the OsHf cluster, Hf(2) is bonded in a single-bond geometry to one Os(1) atom. The Hf(2)-Os(1) bond length is 0.92 Å. Os(1) is bonded in a single-bond geometry to one Hf(2) atom.