data_InSi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   7.17
_cell_angle_alpha   26.13
_cell_angle_beta   26.13
_cell_angle_gamma   26.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSi2B
_chemical_formula_sum   'In1 Si2 B1'
_cell_volume   63.14
_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
  In  In1  1  0.0  0.0  0.39  1.0
  Si  Si2  1  0.0  0.0  0.9  1.0
  Si  Si3  1  0.0  0.0  0.88  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_InSi2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.62
_cell_length_b   3.24
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   105.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InSi2B
_chemical_formula_sum   'In2 Si4 B2'
_cell_volume   126.27
_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
  In  In0  2  0.0  0.0  0.61  1.0
  Si  Si1  2  0.0  0.0  0.1  1.0
  Si  Si2  2  0.0  0.0  0.12  1.0
  B  B3  2  0.0  0.0  0.0  1.0

In Si Si B
InBSi2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two InBSi2 clusters. In(1) is bonded in a distorted single-bond geometry to one B(1) atom. The In(1)-B(1) bond length is 2.79 Å. B(1) is bonded in a single-bond geometry to one In(1) and one Si(1) atom. The B(1)-Si(1) bond length is 0.73 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a linear geometry to one B(1) and one Si(2) atom. The Si(1)-Si(2) bond length is 0.14 Å. In the second Si site, Si(2) is bonded in a single-bond geometry to one Si(1) atom.