data_ScRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22
_cell_length_b   7.22
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   156.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRu2
_chemical_formula_sum   'Sc2 Ru4'
_cell_volume   93.76
_cell_formula_units_Z   2
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  Sc4  1  0.49  0.16  0.35  1.0
  Sc  Sc5  1  0.49  0.84  0.12  1.0
  Ru  Ru0  1  0.49  0.79  0.35  1.0
  Ru  Ru1  1  0.49  0.21  0.12  1.0
  Ru  Ru2  1  0.49  0.75  0.35  1.0
  Ru  Ru3  1  0.49  0.25  0.12  1.0

data_ScRu2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.97
_cell_length_b   4.46
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   101.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ScRu2
_chemical_formula_sum   'Sc2 Ru4'
_cell_volume   93.76
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.16  0.38  0.66  1.0
  Ru  Ru1  2  0.21  0.62  0.71  1.0
  Ru  Ru2  2  0.25  0.62  0.75  1.0

Sc Sc Ru Ru Ru Ru
ScRu2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ScRu2 clusters. Sc(1) is bonded in a single-bond geometry to one Ru(1) atom. The Sc(1)-Ru(1) bond length is 1.10 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a water-like geometry to one Sc(1) and one Ru(2) atom. The Ru(1)-Ru(2) bond length is 0.27 Å. In the second Ru site, Ru(2) is bonded in a single-bond geometry to one Ru(1) atom.