data_SrScRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrScRu2
_chemical_formula_sum   'Sr1 Sc1 Ru2'
_cell_volume   91.2
_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
  Sr  Sr3  1  0.66  0.66  0.63  1.0
  Sc  Sc2  1  0.0  0.0  0.32  1.0
  Ru  Ru0  1  0.0  0.0  0.64  1.0
  Ru  Ru1  1  0.66  0.66  0.81  1.0

data_SrScRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrScRu2
_chemical_formula_sum   'Sr2 Sc2 Ru4'
_cell_volume   182.4
_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
  Sr  Sr0  2  0.16  0.5  0.63  1.0
  Sc  Sc1  2  0.0  0.0  0.32  1.0
  Ru  Ru2  2  0.0  0.0  0.64  1.0
  Ru  Ru3  2  0.16  0.5  0.81  1.0

Sr Sc Ru Ru
Sr Sc Ru Ru 0 2 + + o 0 3 o o o 0 1 + + o 0 1 + o o 0 1 o + o 1 1 + o o 1 1 o + o 1 2 o o o 
SrScRu2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two SrScRu2 clusters. Sr(1) is bonded in a distorted L-shaped geometry to one Ru(1) and one Ru(2) atom. The Sr(1)-Ru(1) bond length is 1.60 Å. The Sr(1)-Ru(2) bond length is 1.44 Å. Sc(1) is bonded in a distorted single-bond geometry to one Ru(1) atom. The Sc(1)-Ru(1) bond length is 2.67 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted single-bond geometry to one Sr(1) and one Sc(1) atom. In the second Ru site, Ru(2) is bonded in a single-bond geometry to one Sr(1) atom.