data_Hf2V3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2V3Ge
_chemical_formula_sum   'Hf4 V6 Ge2'
_cell_volume   197.21
_cell_formula_units_Z   2
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  0.58  0.49  0.05  1.0
  Hf  Hf1  1  0.0  0.98  0.52  1.0
  Hf  Hf2  1  0.0  0.98  0.76  1.0
  Hf  Hf3  1  0.58  0.49  0.81  1.0
  V  V4  1  0.0  0.59  0.43  1.0
  V  V5  1  0.2  0.67  0.43  1.0
  V  V6  1  0.8  0.67  0.43  1.0
  V  V7  1  0.58  0.88  0.14  1.0
  V  V8  1  0.38  0.79  0.14  1.0
  V  V9  1  0.78  0.79  0.14  1.0
  Ge  Ge10  1  0.0  0.0  0.0  1.0
  Ge  Ge11  1  0.0  0.0  0.28  1.0

data_Hf2V3Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2V3Ge
_chemical_formula_sum   'Hf4 V6 Ge2'
_cell_volume   197.21
_cell_formula_units_Z   2
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  0.98  0.52  1.0
  Hf  Hf1  1  -0.0  0.98  0.76  1.0
  Hf  Hf2  1  0.58  0.49  0.05  1.0
  Hf  Hf3  1  0.58  0.49  0.81  1.0
  V  V4  1  -0.0  0.59  0.43  1.0
  V  V5  1  0.2  0.67  0.43  1.0
  V  V6  1  0.38  0.79  0.14  1.0
  V  V7  1  0.58  0.88  0.14  1.0
  V  V8  1  0.78  0.79  0.14  1.0
  V  V9  1  0.8  0.67  0.43  1.0
  Ge  Ge10  1  0.0  0.0  0.0  1.0
  Ge  Ge11  1  0.0  0.0  0.28  1.0

Hf Hf Hf Hf V V V V V V Ge Ge
Hf Hf Hf Hf V V V V V V Ge Ge 0 9 o o o 0 3 o o - 1 6 - o o 1 2 o o o 1 11 o + o 2 3 - o o 2 10 o + + 4 5 o o o 4 6 - o o 6 11 + + o 7 8 o o o 7 9 o o o 9 10 + + o 9 11 + + o 
Hf2V3Ge is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Hf2V3Ge cluster. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted single-bond geometry to one Hf(4) and one V(6) atom. The Hf(1)-Hf(4) bond length is 2.05 Å. The Hf(1)-V(6) bond length is 1.61 Å. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to one V(3) and one Ge(2) atom. The Hf(2)-V(3) bond length is 1.61 Å. The Hf(2)-Ge(2) bond length is 2.04 Å. In the third Hf site, Hf(3) is bonded in a distorted single-bond geometry to one Hf(4) and one Ge(1) atom. The Hf(3)-Hf(4) bond length is 2.40 Å. The Hf(3)-Ge(1) bond length is 2.04 Å. In the fourth Hf site, Hf(4) is bonded in a 2-coordinate geometry to one Hf(1) and one Hf(3) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded in a distorted bent 150 degrees geometry to one V(2) and one V(3) atom. The V(1)-V(2) bond length is 0.91 Å. The V(1)-V(3) bond length is 1.30 Å. In the second V site, V(2) is bonded in a single-bond geometry to one V(1) atom. In the third V site, V(3) is bonded in a 3-coordinate geometry to one Hf(2), one V(1), and one Ge(2) atom. The V(3)-Ge(2) bond length is 1.92 Å. In the fourth V site, V(4) is bonded in a distorted bent 150 degrees geometry to one V(5) and one V(6) atom. The V(4)-V(5) bond length is 0.91 Å. The V(4)-V(6) bond length is 1.30 Å. In the fifth V site, V(5) is bonded in a distorted single-bond geometry to one V(4) atom. In the sixth V site, V(6) is bonded in a distorted trigonal pyramidal geometry to one Hf(1), one V(4), one Ge(1), and one Ge(2) atom. The V(6)-Ge(1) bond length is 1.64 Å. The V(6)-Ge(2) bond length is 1.64 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 2-coordinate geometry to one Hf(3) and one V(6) atom. In the second Ge site, Ge(2) is bonded in a 3-coordinate geometry to one Hf(2), one V(3), and one V(6) atom.