data_Si2BSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2BSb
_chemical_formula_sum   'Si2 B1 Sb1'
_cell_volume   72.03
_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
  Si  Si2  1  0.0  0.0  0.9  1.0
  Si  Si3  1  0.68  0.68  0.53  1.0
  B  B0  1  0.0  0.0  0.97  1.0
  Sb  Sb1  1  0.68  0.68  0.17  1.0

data_Si2BSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2BSb
_chemical_formula_sum   'Si4 B2 Sb2'
_cell_volume   144.05
_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
  Si  Si0  2  0.0  0.0  0.9  1.0
  Si  Si1  2  0.18  0.5  0.53  1.0
  B  B2  2  0.0  0.0  0.97  1.0
  Sb  Sb3  2  0.18  0.5  0.17  1.0

Si Si B Sb
Si Si B Sb 0 2 o o o 0 3 - - + 1 3 o o o 2 3 - - + 
BSi2Sb is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BSi2Sb clusters. B(1) is bonded in a single-bond geometry to one Si(1) and one Sb(1) atom. The B(1)-Si(1) bond length is 0.44 Å. The B(1)-Sb(1) bond length is 2.01 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a single-bond geometry to one B(1) atom. In the second Si site, Si(2) is bonded in a distorted single-bond geometry to one Sb(1) atom. The Si(2)-Sb(1) bond length is 2.29 Å. Sb(1) is bonded in a distorted bent 120 degrees geometry to one B(1) and one Si(2) atom.