data_ScBIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   136.45
_cell_angle_beta   136.45
_cell_angle_gamma   63.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBIr2
_chemical_formula_sum   'Sc1 B1 Ir2'
_cell_volume   54.78
_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  Sc3  1  0.0  0.81  0.08  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.81  0.0  0.08  1.0
  Ir  Ir2  1  0.0  0.0  0.16  1.0

data_ScBIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   4.89
_cell_angle_alpha   111.77
_cell_angle_beta   111.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBIr2
_chemical_formula_sum   'Sc1 B1 Ir2'
_cell_volume   54.78
_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  Sc0  1  0.73  0.81  0.73  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.84  0.0  0.84  1.0
  Ir  Ir3  1  0.92  0.0  0.73  1.0

Sc B Ir Ir
ScIr2B crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ScIr2B cluster. Sc(1) is bonded in a single-bond geometry to one Ir(1) and one Ir(2) atom. The Sc(1)-Ir(1) bond length is 0.96 Å. The Sc(1)-Ir(2) bond length is 0.68 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 2-coordinate geometry to one Sc(1) and one Ir(2) atom. The Ir(1)-Ir(2) bond length is 0.68 Å. In the second Ir site, Ir(2) is bonded in a distorted single-bond geometry to one Sc(1), one Ir(1), and one B(1) atom. The Ir(2)-B(1) bond length is 0.80 Å. B(1) is bonded in a single-bond geometry to one Ir(2) atom.