data_GeSbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSbMo2
_chemical_formula_sum   'Ge1 Sb1 Mo2'
_cell_volume   69.23
_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  0.87  1.0
  Sb  Sb3  1  0.68  0.68  0.95  1.0
  Mo  Mo1  1  0.68  0.68  0.89  1.0
  Mo  Mo2  1  0.0  0.0  0.55  1.0

data_GeSbMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeSbMo2
_chemical_formula_sum   'Ge2 Sb2 Mo4'
_cell_volume   138.46
_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  0.87  1.0
  Sb  Sb1  2  0.18  0.5  0.95  1.0
  Mo  Mo2  2  0.0  0.0  0.55  1.0
  Mo  Mo3  2  0.18  0.5  0.89  1.0

Ge Sb Mo Mo
Ge Sb Mo Mo 0 2 - - o 0 1 - - o 0 3 o o o 1 2 o o o 
Mo2GeSb is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mo2GeSb clusters. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one Ge(1) and one Sb(1) atom. The Mo(1)-Ge(1) bond length is 1.51 Å. The Mo(1)-Sb(1) bond length is 0.36 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Ge(1) atom. The Mo(2)-Ge(1) bond length is 1.97 Å. Ge(1) is bonded in a distorted L-shaped geometry to one Mo(1) and one Mo(2) atom. Sb(1) is bonded in a single-bond geometry to one Mo(1) atom.