data_Sc2GeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56
_cell_length_b   8.56
_cell_length_c   8.56
_cell_angle_alpha   21.62
_cell_angle_beta   21.62
_cell_angle_gamma   21.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GeRu
_chemical_formula_sum   'Sc2 Ge1 Ru1'
_cell_volume   74.49
_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  0.94  1.0
  Sc  Sc3  1  0.0  0.0  0.12  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.53  1.0

data_Sc2GeRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   3.21
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   102.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2GeRu
_chemical_formula_sum   'Sc4 Ge2 Ru2'
_cell_volume   148.99
_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
  Sc  Sc0  2  0.0  0.0  0.06  1.0
  Sc  Sc1  2  0.0  0.0  0.88  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  Ru  Ru3  2  0.0  0.0  0.47  1.0

Sc Sc Ge Ru
Sc2RuGe crystallizes in the monoclinic Cm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one Ru(1) and one Ge(1) atom. The Sc(1)-Ru(1) bond length is 3.49 Å. The Sc(1)-Ge(1) bond length is 0.53 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 3.49 Å. The Sc(2)-Ge(1) bond length is 1.03 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one Sc(1); one Sc(2); and six Ru(1,1) atoms to form a mixture of distorted corner and edge-sharing RuSc2Ru6 hexagonal bipyramids. All Ru(1)-Ru(1,1) bond lengths are 3.21 Å. In the second Ru site, Ru(1) is bonded to one Sc(1); one Sc(2); and six Ru(1,1) atoms to form a mixture of distorted corner and edge-sharing RuSc2Ru6 hexagonal bipyramids. The Ru(1)-Sc(1) bond length is 3.49 Å. The Ru(1)-Sc(2) bond length is 3.49 Å. Both Ru(1)-Ru(1) bond lengths are 3.21 Å. Ge(1) is bonded in a linear geometry to one Sc(1) and one Sc(2) atom.