data_NiBSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   139.57
_cell_angle_beta   111.98
_cell_angle_gamma   82.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBSb2
_chemical_formula_sum   'Ni1 B1 Sb2'
_cell_volume   71.03
_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
  Ni  Ni1  1  0.0  0.0  0.74  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.71  0.0  0.67  1.0
  Sb  Sb3  1  0.0  0.77  0.07  1.0

data_NiBSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   68.02
_cell_angle_beta   69.79
_cell_angle_gamma   69.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBSb2
_chemical_formula_sum   'Ni1 B1 Sb2'
_cell_volume   71.03
_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
  Ni  Ni0  1  0.0  -0.0  0.74  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.29  0.67  1.0
  Sb  Sb3  1  0.77  0.0  0.3  1.0

Ni B Sb Sb
NiBSb2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NiBSb2 cluster. Ni(1) is bonded in a 2-coordinate geometry to one B(1) and one Sb(1) atom. The Ni(1)-B(1) bond length is 1.31 Å. The Ni(1)-Sb(1) bond length is 1.33 Å. B(1) is bonded in a 3-coordinate geometry to one Ni(1), one Sb(1), and one Sb(2) atom. The B(1)-Sb(1) bond length is 1.73 Å. The B(1)-Sb(2) bond length is 1.40 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Ni(1) and one B(1) atom. In the second Sb site, Sb(2) is bonded in a 1-coordinate geometry to one B(1) atom.