data_Nb2CrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrSb
_chemical_formula_sum   'Nb2 Cr1 Sb1'
_cell_volume   71.16
_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  0.71  0.0  0.17  1.0
  Nb  Nb2  1  0.0  0.0  0.4  1.0
  Cr  Cr0  1  0.0  0.0  0.06  1.0
  Sb  Sb3  1  0.71  0.0  0.1  1.0

data_Nb2CrSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   8.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrSb
_chemical_formula_sum   'Nb2 Cr1 Sb1'
_cell_volume   71.16
_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  0.4  1.0
  Nb  Nb1  1  0.71  0.0  0.17  1.0
  Cr  Cr2  1  0.0  0.0  0.06  1.0
  Sb  Sb3  1  0.71  0.0  0.1  1.0

Nb Nb Cr Sb
Nb Nb Cr Sb 0 3 o o o 0 1 + o o 1 3 - o o 2 3 - o o 
Nb2CrSb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Nb2CrSb cluster. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a single-bond geometry to one Nb(2) and one Sb(1) atom. The Nb(1)-Nb(2) bond length is 2.14 Å. The Nb(1)-Sb(1) bond length is 0.54 Å. In the second Nb site, Nb(2) is bonded in a distorted single-bond geometry to one Nb(1) atom. Cr(1) is bonded in a distorted single-bond geometry to one Sb(1) atom. The Cr(1)-Sb(1) bond length is 0.93 Å. Sb(1) is bonded in a distorted single-bond geometry to one Nb(1) and one Cr(1) atom.