data_Hf3GeMo8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3GeMo8
_chemical_formula_sum   'Hf3 Ge1 Mo8'
_cell_volume   213.84
_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  0.68  0.55  0.8  1.0
  Hf  Hf1  1  0.68  0.55  0.53  1.0
  Hf  Hf2  1  0.0  0.0  0.08  1.0
  Ge  Ge3  1  0.0  0.0  0.86  1.0
  Mo  Mo4  1  1.0  0.09  0.29  1.0
  Mo  Mo5  1  1.0  0.09  0.58  1.0
  Mo  Mo6  1  0.38  0.3  0.43  1.0
  Mo  Mo7  1  0.98  0.3  0.43  1.0
  Mo  Mo8  1  0.68  0.04  0.43  1.0
  Mo  Mo9  1  0.63  0.88  0.17  1.0
  Mo  Mo10  1  0.37  0.88  0.17  1.0
  Mo  Mo11  1  1.0  0.51  0.17  1.0

data_Hf3GeMo8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3GeMo8
_chemical_formula_sum   'Hf3 Ge1 Mo8'
_cell_volume   213.84
_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  0.0  0.08  1.0
  Hf  Hf1  1  0.68  0.55  0.53  1.0
  Hf  Hf2  1  0.68  0.55  0.8  1.0
  Ge  Ge3  1  0.0  0.0  0.86  1.0
  Mo  Mo4  1  0.37  0.88  0.17  1.0
  Mo  Mo5  1  0.38  0.3  0.43  1.0
  Mo  Mo6  1  0.63  0.88  0.17  1.0
  Mo  Mo7  1  0.68  0.04  0.43  1.0
  Mo  Mo8  1  0.98  0.3  0.43  1.0
  Mo  Mo9  1  1.0  0.09  0.29  1.0
  Mo  Mo10  1  1.0  0.09  0.58  1.0
  Mo  Mo11  1  1.0  0.51  0.17  1.0

Hf Hf Hf Ge Mo Mo Mo Mo Mo Mo Mo Mo
Hf3Mo8Ge crystallizes in the triclinic P1 space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a distorted single-bond geometry to one Mo(8) and two equivalent Ge(1) atoms. The Hf(1)-Mo(8) bond length is 3.64 Å. There is one shorter (2.23 Å) and one longer (3.38 Å) Hf(1)-Ge(1) bond length. In the second Hf site, Hf(2) is bonded in a distorted single-bond geometry to one Mo(2), one Mo(3), and one Mo(4) atom. The Hf(2)-Mo(2) bond length is 2.59 Å. The Hf(2)-Mo(3) bond length is 1.73 Å. The Hf(2)-Mo(4) bond length is 2.70 Å. In the third Hf site, Hf(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(6), one Mo(7), two equivalent Mo(8), and one Ge(1) atom. The Hf(3)-Mo(1) bond length is 1.82 Å. The Hf(3)-Mo(6) bond length is 1.89 Å. The Hf(3)-Mo(7) bond length is 2.46 Å. There is one shorter (2.71 Å) and one longer (2.82 Å) Hf(3)-Mo(8) bond length. The Hf(3)-Ge(1) bond length is 1.93 Å. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 1-coordinate geometry to one Hf(3), one Mo(4), and one Mo(8) atom. The Mo(1)-Mo(4) bond length is 1.68 Å. The Mo(1)-Mo(8) bond length is 2.47 Å. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to one Hf(2), one Mo(3), one Mo(4), one Mo(5), and one Ge(1) atom. The Mo(2)-Mo(3) bond length is 2.19 Å. The Mo(2)-Mo(4) bond length is 1.76 Å. The Mo(2)-Mo(5) bond length is 2.08 Å. The Mo(2)-Ge(1) bond length is 2.43 Å. In the third Mo site, Mo(3) is bonded in a single-bond geometry to one Hf(2), one Mo(2), and one Mo(4) atom. The Mo(3)-Mo(4) bond length is 2.12 Å. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one Hf(2), one Mo(1), one Mo(2), one Mo(3), one Mo(5), and one Mo(8) atom. The Mo(4)-Mo(5) bond length is 1.51 Å. The Mo(4)-Mo(8) bond length is 2.52 Å. In the fifth Mo site, Mo(5) is bonded in a 1-coordinate geometry to one Mo(2) and one Mo(4) atom. In the sixth Mo site, Mo(6) is bonded in a 1-coordinate geometry to one Hf(3) and one Mo(7) atom. The Mo(6)-Mo(7) bond length is 1.39 Å. In the seventh Mo site, Mo(7) is bonded in a 3-coordinate geometry to one Hf(3), one Mo(6), and one Mo(8) atom. The Mo(7)-Mo(8) bond length is 1.99 Å. In the eighth Mo site, Mo(8) is bonded in a 6-coordinate geometry to one Hf(1), two equivalent Hf(3), one Mo(1), one Mo(4), and one Mo(7) atom. Ge(1) is bonded in a 4-coordinate geometry to one Hf(3), two equivalent Hf(1), and one Mo(2) atom.