data_Ge3Mo5C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Mo5C
_chemical_formula_sum   'Ge6 Mo10 C2'
_cell_volume   258.09
_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
  Ge  Ge0  1  0.77  0.86  0.34  1.0
  Ge  Ge1  1  0.02  0.0  0.01  1.0
  Ge  Ge2  1  0.23  0.86  0.01  1.0
  Ge  Ge3  1  0.51  0.61  0.34  1.0
  Ge  Ge4  1  0.45  0.0  0.34  1.0
  Ge  Ge5  1  0.49  0.61  0.01  1.0
  Mo  Mo6  1  0.0  0.31  0.67  1.0
  Mo  Mo7  1  0.73  0.16  0.0  1.0
  Mo  Mo8  1  0.0  0.31  0.0  1.0
  Mo  Mo9  1  0.73  0.16  0.67  1.0
  Mo  Mo10  1  0.16  0.46  0.34  1.0
  Mo  Mo11  1  0.78  0.0  0.01  1.0
  Mo  Mo12  1  0.84  0.46  0.01  1.0
  Mo  Mo13  1  0.89  0.01  0.34  1.0
  Mo  Mo14  1  0.69  0.0  0.34  1.0
  Mo  Mo15  1  0.11  0.01  0.01  1.0
  C  C16  1  0.0  0.0  0.0  1.0
  C  C17  1  0.0  0.0  0.67  1.0

data_Ge3Mo5C
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.34
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Mo5C
_chemical_formula_sum   'Ge6 Mo10 C2'
_cell_volume   258.09
_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
  Ge  Ge0  1  0.01  0.02  0.0  1.0
  Ge  Ge1  1  0.01  0.23  0.86  1.0
  Ge  Ge2  1  0.01  0.49  0.61  1.0
  Ge  Ge3  1  0.34  0.45  0.0  1.0
  Ge  Ge4  1  0.34  0.51  0.61  1.0
  Ge  Ge5  1  0.34  0.77  0.86  1.0
  Mo  Mo6  1  -0.0  0.0  0.31  1.0
  Mo  Mo7  1  -0.0  0.73  0.16  1.0
  Mo  Mo8  1  0.01  0.11  0.01  1.0
  Mo  Mo9  1  0.01  0.78  0.0  1.0
  Mo  Mo10  1  0.01  0.84  0.46  1.0
  Mo  Mo11  1  0.34  0.16  0.46  1.0
  Mo  Mo12  1  0.34  0.69  0.0  1.0
  Mo  Mo13  1  0.34  0.89  0.01  1.0
  Mo  Mo14  1  0.67  0.0  0.31  1.0
  Mo  Mo15  1  0.67  0.73  0.16  1.0
  C  C16  1  0.0  0.0  0.0  1.0
  C  C17  1  0.67  0.0  0.0  1.0

Ge Ge Ge Ge Ge Ge Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo C C
Ge Ge Ge Ge Ge Ge Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo C C 0 13 o + o 0 3 o o o 0 14 o + o 1 16 o o o 1 15 o o o 1 17 o o - 2 15 o + o 3 5 o o o 3 10 o o o 4 14 o o o 6 9 - o o 6 8 o o + 6 10 o o o 7 11 o o o 7 8 + o o 7 9 o o - 7 12 o o o 8 11 - o o 8 12 - o o 8 10 o o o 9 14 o o o 11 16 + o o 13 14 o o o 13 17 + o o 15 16 o o o 15 17 o o - 16 17 o o - 
Mo5Ge3C crystallizes in the triclinic P1 space group. There are ten inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted rectangular see-saw-like geometry to one Mo(3), one Mo(4), one Mo(5), and one C(2) atom. The Mo(1)-Mo(3) bond length is 1.76 Å. The Mo(1)-Mo(4) bond length is 1.72 Å. The Mo(1)-Mo(5) bond length is 2.12 Å. The Mo(1)-C(2) bond length is 2.34 Å. In the second Mo site, Mo(2) is bonded in a 1-coordinate geometry to one Mo(3), one Mo(4), one Mo(6), and one Mo(7) atom. The Mo(2)-Mo(3) bond length is 1.72 Å. The Mo(2)-Mo(4) bond length is 1.76 Å. The Mo(2)-Mo(6) bond length is 1.38 Å. The Mo(2)-Mo(7) bond length is 2.00 Å. In the third Mo site, Mo(3) is bonded in a 5-coordinate geometry to one Mo(1), one Mo(2), one Mo(5), one Mo(7), and one C(1) atom. The Mo(3)-Mo(5) bond length is 2.12 Å. The Mo(3)-Mo(7) bond length is 1.97 Å. The Mo(3)-C(1) bond length is 2.34 Å. In the fourth Mo site, Mo(4) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(2), one Mo(9), and one Ge(5) atom. The Mo(4)-Mo(9) bond length is 2.07 Å. The Mo(4)-Ge(5) bond length is 2.55 Å. In the fifth Mo site, Mo(5) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one Ge(4) atom. The Mo(5)-Ge(4) bond length is 2.28 Å. In the sixth Mo site, Mo(6) is bonded in a 2-coordinate geometry to one Mo(2), one Ge(6), and one C(1) atom. The Mo(6)-Ge(6) bond length is 2.61 Å. The Mo(6)-C(1) bond length is 1.63 Å. In the seventh Mo site, Mo(7) is bonded in a 4-coordinate geometry to one Mo(2), one Mo(3), one Ge(3), and one Ge(6) atom. The Mo(7)-Ge(3) bond length is 2.91 Å. The Mo(7)-Ge(6) bond length is 3.33 Å. In the eighth Mo site, Mo(8) is bonded in a distorted single-bond geometry to one Ge(1) and one C(2) atom. The Mo(8)-Ge(1) bond length is 1.02 Å. The Mo(8)-C(2) bond length is 1.98 Å. In the ninth Mo site, Mo(9) is bonded in a 2-coordinate geometry to one Mo(4), one Ge(1), and one Ge(5) atom. The Mo(9)-Ge(1) bond length is 1.49 Å. The Mo(9)-Ge(5) bond length is 1.74 Å. In the tenth Mo site, Mo(10) is bonded in a distorted single-bond geometry to one Ge(2) and one Ge(3) atom. The Mo(10)-Ge(2) bond length is 0.67 Å. The Mo(10)-Ge(3) bond length is 1.74 Å. There are six inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted single-bond geometry to one Mo(8), one Mo(9), and one Ge(4) atom. The Ge(1)-Ge(4) bond length is 1.91 Å. In the second Ge site, Ge(2) is bonded in a distorted single-bond geometry to one Mo(10) and one C(1) atom. The Ge(2)-C(1) bond length is 0.12 Å. In the third Ge site, Ge(3) is bonded in a distorted single-bond geometry to one Mo(10) and one Mo(7) atom. In the fourth Ge site, Ge(4) is bonded in a 3-coordinate geometry to one Mo(5), one Ge(1), and one Ge(6) atom. The Ge(4)-Ge(6) bond length is 1.76 Å. In the fifth Ge site, Ge(5) is bonded in a distorted single-bond geometry to one Mo(4) and one Mo(9) atom. In the sixth Ge site, Ge(6) is bonded in a 2-coordinate geometry to one Mo(6), one Mo(7), and one Ge(4) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a single-bond geometry to one Mo(3), one Mo(6), and one Ge(2) atom. In the second C site, C(2) is bonded in a 1-coordinate geometry to one Mo(1) and one Mo(8) atom.