data_Sc2AlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87
_cell_length_b   8.87
_cell_length_c   8.87
_cell_angle_alpha   20.65
_cell_angle_beta   20.65
_cell_angle_gamma   20.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlRu
_chemical_formula_sum   'Sc2 Al1 Ru1'
_cell_volume   75.89
_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  0.74  1.0
  Sc  Sc3  1  0.0  0.0  0.28  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.01  1.0

data_Sc2AlRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   3.18
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   101.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2AlRu
_chemical_formula_sum   'Sc4 Al2 Ru2'
_cell_volume   151.78
_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  0.72  1.0
  Sc  Sc1  2  0.0  0.0  0.26  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0
  Ru  Ru3  2  0.0  0.0  0.99  1.0

Sc Sc Al Ru
Sc2RuAl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sc2RuAl clusters. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one Al(1) atom. The Sc(1)-Al(1) bond length is 2.29 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Ru(1) atom. The Sc(2)-Ru(1) bond length is 2.40 Å. Ru(1) is bonded in a single-bond geometry to one Sc(2) and one Al(1) atom. The Ru(1)-Al(1) bond length is 0.11 Å. Al(1) is bonded in a single-bond geometry to one Sc(1) and one Ru(1) atom.