data_BSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   131.73
_cell_angle_beta   131.73
_cell_angle_gamma   70.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSb3
_chemical_formula_sum   'B1 Sb3'
_cell_volume   93.45
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.27  0.0  0.27  1.0
  Sb  Sb2  1  0.0  0.0  0.53  1.0
  Sb  Sb3  1  0.0  0.27  0.27  1.0

data_BSb3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   125.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BSb3
_chemical_formula_sum   'B2 Sb6'
_cell_volume   186.91
_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
  B  B0  2  0.0  0.0  0.0  1.0
  Sb  Sb1  4  0.36  0.36  0.99  1.0
  Sb  Sb2  2  0.0  0.0  0.53  1.0

B Sb Sb Sb
BSb3 crystallizes in the monoclinic Cm space group. B(1) is bonded in a distorted L-shaped geometry to one Sb(2) and two equivalent Sb(1) atoms. The B(1)-Sb(2) bond length is 2.61 Å. Both B(1)-Sb(1) bond lengths are 1.22 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one B(1) and two equivalent Sb(2) atoms. There is one shorter (2.72 Å) and one longer (3.26 Å) Sb(1)-Sb(2) bond length. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one B(1) and four equivalent Sb(1) atoms.