data_NiBSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBSb2
_chemical_formula_sum   'Ni1 B1 Sb2'
_cell_volume   67.73
_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
  Ni  Ni1  1  0.0  0.0  0.38  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.58  0.58  0.08  1.0
  Sb  Sb3  1  0.58  0.58  0.69  1.0

data_NiBSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiBSb2
_chemical_formula_sum   'Ni2 B2 Sb4'
_cell_volume   135.46
_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
  Ni  Ni0  2  0.0  0.0  0.38  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.08  0.5  0.08  1.0
  Sb  Sb3  2  0.08  0.5  0.69  1.0

Ni B Sb Sb
NiBSb2 crystallizes in the monoclinic Cm space group. Ni(1) is bonded in a 13-coordinate geometry to four equivalent Ni(1), one B(1), four equivalent Sb(1), and four equivalent Sb(2) atoms. All Ni(1)-Ni(1) bond lengths are 3.16 Å. The Ni(1)-B(1) bond length is 2.57 Å. There are a spread of Ni(1)-Sb(1) bond distances ranging from 2.78-3.32 Å. There are a spread of Ni(1)-Sb(2) bond distances ranging from 2.78-3.32 Å. B(1) is bonded in a 6-coordinate geometry to one Ni(1), one Sb(2), and four equivalent Sb(1) atoms. The B(1)-Sb(2) bond length is 2.83 Å. There are a spread of B(1)-Sb(1) bond distances ranging from 1.94-2.66 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to four equivalent Ni(1), four equivalent B(1), and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 2.64 Å. In the second Sb site, Sb(2) is bonded in a 10-coordinate geometry to four equivalent Ni(1), one B(1), one Sb(1), and four equivalent Sb(2) atoms. All Sb(2)-Sb(2) bond lengths are 3.16 Å.