data_LiSi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.52
_cell_length_c   3.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSi2B
_chemical_formula_sum   'Li1 Si2 B1'
_cell_volume   44.52
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.68  0.0  0.88  1.0
  Si  Si3  1  0.68  0.76  0.0  1.0
  B  B0  1  0.0  0.76  0.88  1.0

data_LiSi2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.52
_cell_length_c   3.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSi2B
_chemical_formula_sum   'Li1 Si2 B1'
_cell_volume   44.52
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.68  0.0  0.88  1.0
  Si  Si2  1  0.68  0.76  0.0  1.0
  B  B3  1  0.0  0.76  0.88  1.0

Li Si Si B
LiBSi2 is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiBSi2 cluster. Li(1) is bonded in a 2-coordinate geometry to one B(1), one Si(1), and one Si(2) atom. The Li(1)-B(1) bond length is 0.96 Å. The Li(1)-Si(1) bond length is 1.16 Å. The Li(1)-Si(2) bond length is 1.36 Å. B(1) is bonded in a distorted single-bond geometry to one Li(1) and one Si(2) atom. The B(1)-Si(2) bond length is 1.16 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 2-coordinate geometry to one Li(1) and one Si(2) atom. The Si(1)-Si(2) bond length is 0.96 Å. In the second Si site, Si(2) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one Si(1) atom.