data_ScGeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGeMo2
_chemical_formula_sum   'Sc1 Ge1 Mo2'
_cell_volume   68.23
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.33  1.0
  Mo  Mo1  1  0.69  0.0  0.3  1.0
  Mo  Mo2  1  0.69  0.0  0.36  1.0

data_ScGeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGeMo2
_chemical_formula_sum   'Sc1 Ge1 Mo2'
_cell_volume   68.23
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.33  1.0
  Mo  Mo2  1  0.69  0.0  0.3  1.0
  Mo  Mo3  1  0.69  0.0  0.36  1.0

Sc Ge Mo Mo
Sc Ge Mo Mo 0 0 + + o 0 0 o + o 0 0 + o o 0 3 - o o 0 2 - o o 0 2 o o o 0 1 o o o 1 2 - o o 1 3 - o o 2 3 o o o 
ScMo2Ge crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScMo2Ge cluster. Sc(1) is bonded in a distorted single-bond geometry to one Mo(1) atom. The Sc(1)-Mo(1) bond length is 2.71 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to one Sc(1), one Mo(2), and one Ge(1) atom. The Mo(1)-Mo(2) bond length is 0.57 Å. The Mo(1)-Ge(1) bond length is 0.93 Å. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Mo(1) atom. Ge(1) is bonded in a 1-coordinate geometry to one Mo(1) atom.