data_NbBiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   3.29
_cell_angle_alpha   101.82
_cell_angle_beta   101.82
_cell_angle_gamma   106.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBiSb2
_chemical_formula_sum   'Nb1 Bi1 Sb2'
_cell_volume   100.5
_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  Nb1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.5  0.0  0.0  1.0
  Sb  Sb2  1  0.19  0.32  0.54  1.0
  Sb  Sb3  1  0.19  0.68  0.54  1.0

data_NbBiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   106.08
_cell_angle_beta   101.82
_cell_angle_gamma   101.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBiSb2
_chemical_formula_sum   'Nb1 Bi1 Sb2'
_cell_volume   100.5
_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  Nb0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.5  0.0  1.0
  Sb  Sb2  1  0.54  0.19  0.32  1.0
  Sb  Sb3  1  0.54  0.19  0.68  1.0

Nb Bi Sb Sb
NbBiSb2 crystallizes in the triclinic P1 space group. Nb(1) is bonded in a 1-coordinate geometry to two equivalent Bi(1), one Sb(1), and two equivalent Sb(2) atoms. There is one shorter (2.90 Å) and one longer (2.92 Å) Nb(1)-Bi(1) bond length. The Nb(1)-Sb(1) bond length is 2.15 Å. There is one shorter (2.78 Å) and one longer (3.12 Å) Nb(1)-Sb(2) bond length. Bi(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Sb(2) atom. The Bi(1)-Sb(2) bond length is 2.21 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 1-coordinate geometry to one Nb(1) and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 2.04 Å. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to two equivalent Nb(1), one Bi(1), and one Sb(1) atom.