data_Li2BSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BSb
_chemical_formula_sum   'Li2 B1 Sb1'
_cell_volume   60.81
_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  0.69  0.69  0.3  1.0
  Li  Li2  1  0.0  0.0  0.27  1.0
  B  B0  1  0.0  0.0  0.87  1.0
  Sb  Sb3  1  0.69  0.69  0.84  1.0

data_Li2BSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2BSb
_chemical_formula_sum   'Li4 B2 Sb2'
_cell_volume   121.62
_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
  Li  Li0  2  0.0  0.0  0.27  1.0
  Li  Li1  2  0.19  0.5  0.3  1.0
  B  B2  2  0.0  0.0  0.87  1.0
  Sb  Sb3  2  0.19  0.5  0.84  1.0

Li Li B Sb
Li2BSb crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one Li(2) and two equivalent Sb(1) atoms. The Li(1)-Li(2) bond length is 1.48 Å. There is one shorter (2.44 Å) and one longer (2.87 Å) Li(1)-Sb(1) bond length. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Li(1) and one B(1) atom. The Li(2)-B(1) bond length is 2.16 Å. B(1) is bonded in a distorted L-shaped geometry to one Li(2) and three equivalent Sb(1) atoms. There is one shorter (1.48 Å) and two longer (2.57 Å) B(1)-Sb(1) bond lengths. Sb(1) is bonded to two equivalent Li(1) and three equivalent B(1) atoms to form distorted corner-sharing SbLi2B3 trigonal bipyramids.