data_Ge3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.6
_cell_length_b   9.6
_cell_length_c   9.6
_cell_angle_alpha   17.69
_cell_angle_beta   17.69
_cell_angle_gamma   17.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Mo
_chemical_formula_sum   'Ge3 Mo1'
_cell_volume   71.17
_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
  Ge  Ge0  1  0.0  0.0  0.5  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.83  1.0
  Mo  Mo3  1  0.0  0.0  0.16  1.0

data_Ge3Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   2.95
_cell_length_c   9.6
_cell_angle_alpha   90.0
_cell_angle_beta   100.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ge3Mo
_chemical_formula_sum   'Ge6 Mo2'
_cell_volume   142.34
_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
  Ge  Ge0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.0  0.0  0.17  1.0
  Ge  Ge2  2  0.0  0.0  0.5  1.0
  Mo  Mo3  2  0.0  0.0  0.84  1.0

Ge Ge Ge Mo
MoGe3 crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a single-bond geometry to one Ge(1) and one Ge(2) atom. The Mo(1)-Ge(1) bond length is 3.25 Å. The Mo(1)-Ge(2) bond length is 1.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Mo(1), one Ge(3), and six equivalent Ge(1) atoms to form a mixture of distorted corner and edge-sharing GeGe7Mo hexagonal bipyramids. The Ge(1)-Ge(3) bond length is 3.09 Å. All Ge(1)-Ge(1) bond lengths are 2.95 Å. In the second Ge site, Ge(2) is bonded in a distorted linear geometry to one Mo(1) and one Ge(3) atom. The Ge(2)-Ge(3) bond length is 1.68 Å. In the third Ge site, Ge(3) is bonded in a single-bond geometry to one Ge(1) and one Ge(2) atom.