data_In2BSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   131.74
_cell_angle_beta   131.74
_cell_angle_gamma   70.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2BSb
_chemical_formula_sum   'In2 B1 Sb1'
_cell_volume   91.73
_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  0.26  0.0  0.25  1.0
  In  In2  1  0.0  0.26  0.25  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.5  1.0

data_In2BSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   125.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2BSb
_chemical_formula_sum   'In4 B2 Sb2'
_cell_volume   183.45
_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  4  0.37  0.63  1.0  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.0  0.0  0.5  1.0

In In B Sb
In2BSb crystallizes in the monoclinic Cm space group. In(1) is bonded in a single-bond geometry to one B(1) and two equivalent Sb(1) atoms. The In(1)-B(1) bond length is 1.15 Å. There is one shorter (2.56 Å) and one longer (3.34 Å) In(1)-Sb(1) bond length. B(1) is bonded in an L-shaped geometry to two equivalent In(1) and one Sb(1) atom. The B(1)-Sb(1) bond length is 2.74 Å. Sb(1) is bonded in a 5-coordinate geometry to four equivalent In(1) and one B(1) atom.