data_NbCr2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   3.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCr2Sb
_chemical_formula_sum   'Nb1 Cr2 Sb1'
_cell_volume   64.36
_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  0.0  1.0
  Cr  Cr0  1  0.08  0.0  0.86  1.0
  Cr  Cr1  1  0.0  0.08  0.86  1.0
  Sb  Sb3  1  0.08  0.08  0.0  1.0

data_NbCr2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   3.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCr2Sb
_chemical_formula_sum   'Nb2 Cr4 Sb2'
_cell_volume   128.73
_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  0.0  1.0
  Cr  Cr1  4  0.04  0.04  0.86  1.0
  Sb  Sb2  2  0.08  0.0  0.0  1.0

Nb Cr Cr Sb
NbCr2Sb is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbCr2Sb clusters. Nb(1) is bonded in a distorted single-bond geometry to two equivalent Cr(1) and one Sb(1) atom. Both Nb(1)-Cr(1) bond lengths are 0.62 Å. The Nb(1)-Sb(1) bond length is 0.47 Å. Cr(1) is bonded in a 3-coordinate geometry to one Nb(1), one Cr(1), and one Sb(1) atom. The Cr(1)-Cr(1) bond length is 0.47 Å. The Cr(1)-Sb(1) bond length is 0.62 Å. Sb(1) is bonded in a distorted single-bond geometry to one Nb(1) and two equivalent Cr(1) atoms.