data_Hf2IrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   122.72
_cell_angle_beta   122.72
_cell_angle_gamma   85.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2IrOs
_chemical_formula_sum   'Hf2 Ir1 Os1'
_cell_volume   69.61
_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  0.25  0.0  0.72  1.0
  Hf  Hf1  1  0.0  0.25  0.72  1.0
  Ir  Ir2  1  0.0  0.0  0.45  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

data_Hf2IrOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   132.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2IrOs
_chemical_formula_sum   'Hf4 Ir2 Os2'
_cell_volume   139.22
_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  4  0.38  0.38  0.48  1.0
  Os  Os1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.0  0.0  0.45  1.0

Hf Hf Ir Os
Hf Hf Ir Os 0 2 o o o 0 3 o o + 1 2 o o o 1 3 o o + 2 3 o o o 
Hf2OsIr crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a distorted single-bond geometry to two equivalent Os(1) and one Ir(1) atom. There is one shorter (2.16 Å) and one longer (3.03 Å) Hf(1)-Os(1) bond length. The Hf(1)-Ir(1) bond length is 1.18 Å. Os(1) is bonded in a 5-coordinate geometry to four equivalent Hf(1) and one Ir(1) atom. The Os(1)-Ir(1) bond length is 2.09 Å. Ir(1) is bonded in an L-shaped geometry to two equivalent Hf(1) and one Os(1) atom.