data_NbBi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBi2Sb
_chemical_formula_sum   'Nb1 Bi2 Sb1'
_cell_volume   104.48
_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
  Nb  Nb2  1  0.0  0.0  0.39  1.0
  Bi  Bi0  1  0.0  0.0  0.79  1.0
  Bi  Bi1  1  0.79  0.79  0.47  1.0
  Sb  Sb3  1  0.79  0.79  0.69  1.0

data_NbBi2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbBi2Sb
_chemical_formula_sum   'Nb2 Bi4 Sb2'
_cell_volume   208.96
_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
  Nb  Nb0  2  0.0  0.0  0.39  1.0
  Bi  Bi1  2  0.0  0.0  0.79  1.0
  Bi  Bi2  2  0.29  0.5  0.47  1.0
  Sb  Sb3  2  0.29  0.5  0.69  1.0

Nb Bi Bi Sb
Nb Bi Bi Sb 0 2 - - o 1 3 - - o 
NbBi2Sb crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbBi2Sb clusters. Nb(1) is bonded in a single-bond geometry to one Bi(2) atom. The Nb(1)-Bi(2) bond length is 1.25 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one Sb(1) atom. The Bi(1)-Sb(1) bond length is 1.33 Å. In the second Bi site, Bi(2) is bonded in a distorted single-bond geometry to one Nb(1) and one Sb(1) atom. The Bi(2)-Sb(1) bond length is 1.73 Å. Sb(1) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one Bi(2) atom.