data_HfGeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGeIr2
_chemical_formula_sum   'Hf1 Ge1 Ir2'
_cell_volume   65.25
_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  0.9  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.45  0.27  0.62  1.0
  Ir  Ir3  1  0.45  0.73  0.62  1.0

data_HfGeIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   100.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGeIr2
_chemical_formula_sum   'Hf1 Ge1 Ir2'
_cell_volume   65.25
_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  0.9  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.62  0.45  0.27  1.0
  Ir  Ir3  1  0.62  0.45  0.73  1.0

Hf Ge Ir Ir
Hf Ge Ir Ir 0 1 + o o 0 3 o - - 1 2 o o - 2 3 o o o 2 3 o - o 
HfIr2Ge crystallizes in the triclinic P1 space group. Hf(1) is bonded in a single-bond geometry to one Ir(2), two equivalent Ir(1), and one Ge(1) atom. The Hf(1)-Ir(2) bond length is 2.50 Å. There is one shorter (2.82 Å) and one longer (3.24 Å) Hf(1)-Ir(1) bond length. The Hf(1)-Ge(1) bond length is 0.45 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 6-coordinate geometry to two equivalent Hf(1), two equivalent Ir(2), and two equivalent Ge(1) atoms. There is one shorter (2.12 Å) and one longer (2.40 Å) Ir(1)-Ir(2) bond length. There is one shorter (2.50 Å) and one longer (2.96 Å) Ir(1)-Ge(1) bond length. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to one Hf(1) and two equivalent Ir(1) atoms. Ge(1) is bonded in a single-bond geometry to one Hf(1) and two equivalent Ir(1) atoms.