data_Sc2GeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   132.33
_cell_angle_beta   132.33
_cell_angle_gamma   69.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GeRu
_chemical_formula_sum   'Sc2 Ge1 Ru1'
_cell_volume   69.67
_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
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.05  0.0  0.08  1.0
  Ge  Ge0  1  0.0  0.0  0.16  1.0
  Ru  Ru1  1  0.0  0.05  0.08  1.0

data_Sc2GeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   5.07
_cell_angle_alpha   113.84
_cell_angle_beta   113.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GeRu
_chemical_formula_sum   'Sc2 Ge1 Ru1'
_cell_volume   69.67
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.08  0.03  0.03  1.0
  Ge  Ge2  1  0.16  0.16  0.16  1.0
  Ru  Ru3  1  0.03  0.08  0.03  1.0

Sc Sc Ge Ru
Sc2RuGe is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sc2RuGe cluster. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted single-bond geometry to one Ru(1) atom. The Sc(1)-Ru(1) bond length is 0.29 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Ru(1) and one Ge(1) atom. The Sc(2)-Ru(1) bond length is 0.27 Å. The Sc(2)-Ge(1) bond length is 0.58 Å. Ru(1) is bonded in a 1-coordinate geometry to one Sc(1), one Sc(2), and one Ge(1) atom. The Ru(1)-Ge(1) bond length is 0.58 Å. Ge(1) is bonded in a 2-coordinate geometry to one Sc(2) and one Ru(1) atom.