data_SrScRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrScRu2
_chemical_formula_sum   'Sr1 Sc1 Ru2'
_cell_volume   76.96
_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  0.0  0.0  0.39  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.73  0.0  0.81  1.0
  Ru  Ru1  1  0.73  0.0  0.98  1.0

data_SrScRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrScRu2
_chemical_formula_sum   'Sr1 Sc1 Ru2'
_cell_volume   76.96
_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  Sr0  1  0.0  0.0  0.39  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.73  0.0  0.81  1.0
  Ru  Ru3  1  0.73  0.0  0.98  1.0

Sr Sc Ru Ru
SrScRu2 crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Sc(1), and one Ru(1) atom. All Sr(1)-Sr(1) bond lengths are 3.07 Å. The Sr(1)-Sc(1) bond length is 3.47 Å. The Sr(1)-Ru(1) bond length is 3.77 Å. Sc(1) is bonded in a distorted single-bond geometry to one Sr(1) and one Ru(2) atom. The Sc(1)-Ru(2) bond length is 0.87 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 1-coordinate geometry to one Sr(1) and one Ru(2) atom. The Ru(1)-Ru(2) bond length is 1.45 Å. In the second Ru site, Ru(2) is bonded in a distorted single-bond geometry to one Sc(1) and one Ru(1) atom.