data_Sc2SbRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SbRu
_chemical_formula_sum   'Sc2 Sb1 Ru1'
_cell_volume   78.15
_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  0.75  0.75  0.91  1.0
  Sc  Sc3  1  0.75  0.75  0.48  1.0
  Sb  Sb1  1  0.0  0.0  0.2  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_Sc2SbRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2SbRu
_chemical_formula_sum   'Sc4 Sb2 Ru2'
_cell_volume   156.29
_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  0.25  0.5  0.48  1.0
  Sc  Sc1  2  0.25  0.5  0.91  1.0
  Sb  Sb2  2  0.0  0.0  0.2  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0

Sc Sc Sb Ru
Sc Sc Sb Ru 0 3 + + + 1 2 + + o 2 3 o o o 
Sc2RuSb crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sc2RuSb clusters. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one Ru(1) atom. The Sc(1)-Ru(1) bond length is 1.36 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Sb(1) atom. The Sc(2)-Sb(1) bond length is 2.20 Å. Ru(1) is bonded in a 2-coordinate geometry to one Sc(1) and one Sb(1) atom. The Ru(1)-Sb(1) bond length is 1.26 Å. Sb(1) is bonded in a distorted bent 150 degrees geometry to one Sc(2) and one Ru(1) atom.