data_Hf2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   130.02
_cell_angle_beta   130.02
_cell_angle_gamma   73.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2SbIr
_chemical_formula_sum   'Hf2 Sb1 Ir1'
_cell_volume   77.31
_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  0.17  0.0  0.06  1.0
  Hf  Hf1  1  0.0  0.17  0.06  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.11  1.0

data_Hf2SbIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   126.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2SbIr
_chemical_formula_sum   'Hf4 Sb2 Ir2'
_cell_volume   154.61
_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  0.42  0.58  0.89  1.0
  Sb  Sb1  2  0.0  0.0  0.0  1.0
  Ir  Ir2  2  0.0  0.0  0.11  1.0

Hf Hf Sb Ir
Hf Hf Sb Ir 0 2 o o o 1 2 o o o 2 3 o o o 
Hf2IrSb crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Hf2IrSb clusters. Hf(1) is bonded in a single-bond geometry to one Sb(1) atom. The Hf(1)-Sb(1) bond length is 0.71 Å. Ir(1) is bonded in a single-bond geometry to one Sb(1) atom. The Ir(1)-Sb(1) bond length is 0.59 Å. Sb(1) is bonded in a trigonal non-coplanar geometry to two equivalent Hf(1) and one Ir(1) atom.