data_Hf2GeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2GeIr
_chemical_formula_sum   'Hf2 Ge1 Ir1'
_cell_volume   74.01
_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  0.65  0.65  0.67  1.0
  Hf  Hf2  1  0.0  0.0  0.94  1.0
  Ge  Ge0  1  0.0  0.0  0.89  1.0
  Ir  Ir3  1  0.65  0.65  0.55  1.0

data_Hf2GeIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2GeIr
_chemical_formula_sum   'Hf4 Ge2 Ir2'
_cell_volume   148.02
_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  0.94  1.0
  Hf  Hf1  2  0.15  0.5  0.67  1.0
  Ge  Ge2  2  0.0  0.0  0.89  1.0
  Ir  Ir3  2  0.15  0.5  0.55  1.0

Hf Hf Ge Ir
Hf Hf Ge Ir 0 3 o o o 1 2 o o o 
HfIrHfGe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two germanium;hafnium molecules and two HfIr clusters. In each HfIr cluster, Hf(1) is bonded in a distorted single-bond geometry to one Ir(1) atom. The Hf(1)-Ir(1) bond length is 0.77 Å. Ir(1) is bonded in a single-bond geometry to one Hf(1) atom.