data_ScBRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBRu
_chemical_formula_sum   'Sc1 B1 Ru1'
_cell_volume   43.88
_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  0.06  0.99  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.78  0.03  0.0  1.0

data_ScBRu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.57
_cell_length_b   3.98
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScBRu
_chemical_formula_sum   'Sc1 B1 Ru1'
_cell_volume   43.88
_cell_formula_units_Z   1
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  1  0.0  0.0  0.06  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.78  0.0  0.03  1.0

Sc B Ru
Sc B Ru 0 1 o o + 0 2 - o + 1 2 - o o 
ScRuB is Hg_xSn structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScRuB cluster. Sc(1) is bonded in a distorted water-like geometry to one Ru(1) and one B(1) atom. The Sc(1)-Ru(1) bond length is 0.73 Å. The Sc(1)-B(1) bond length is 0.21 Å. Ru(1) is bonded in a single-bond geometry to one Sc(1) atom. B(1) is bonded in a single-bond geometry to one Sc(1) atom.