data_FeGeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78
_cell_length_b   8.78
_cell_length_c   8.78
_cell_angle_alpha   18.37
_cell_angle_beta   18.37
_cell_angle_gamma   18.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGeMo2
_chemical_formula_sum   'Fe1 Ge1 Mo2'
_cell_volume   58.67
_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
  Fe  Fe0  1  0.0  0.0  0.9  1.0
  Ge  Ge1  1  0.0  0.0  0.6  1.0
  Mo  Mo2  1  0.0  0.0  0.05  1.0
  Mo  Mo3  1  0.0  0.0  0.27  1.0

data_FeGeMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   2.8
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   100.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeGeMo2
_chemical_formula_sum   'Fe2 Ge2 Mo4'
_cell_volume   117.34
_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
  Fe  Fe0  2  0.0  0.0  0.1  1.0
  Ge  Ge1  2  0.0  0.0  0.4  1.0
  Mo  Mo2  2  0.0  0.0  0.73  1.0
  Mo  Mo3  2  0.0  0.0  0.95  1.0

Fe Ge Mo Mo
Fe Ge Mo Mo 0 2 o o + 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 3 o o o 
Mo2FeGe crystallizes in the monoclinic Cm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one Mo(2) and one Fe(1) atom. The Mo(1)-Mo(2) bond length is 1.93 Å. The Mo(1)-Fe(1) bond length is 1.30 Å. In the second Mo site, Mo(2) is bonded in a 2-coordinate geometry to one Mo(1) and one Ge(1) atom. The Mo(2)-Ge(1) bond length is 2.86 Å. Fe(1) is bonded in a single-bond geometry to one Mo(1) and one Ge(1) atom. The Fe(1)-Ge(1) bond length is 2.69 Å. Ge(1) is bonded to one Mo(2), one Fe(1), and six equivalent Ge(1) atoms to form a mixture of distorted corner and edge-sharing GeFeGe6Mo hexagonal bipyramids. All Ge(1)-Ge(1) bond lengths are 2.80 Å.