data_NbCr2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   5.79
_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   63.47
_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  0.75  1.0
  Cr  Cr0  1  0.0  0.0  0.17  1.0
  Cr  Cr1  1  0.66  0.66  0.34  1.0
  Sb  Sb3  1  0.66  0.66  0.42  1.0

data_NbCr2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.79
_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   126.95
_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  0.75  1.0
  Cr  Cr1  2  0.0  0.0  0.17  1.0
  Cr  Cr2  2  0.16  0.5  0.34  1.0
  Sb  Sb3  2  0.16  0.5  0.42  1.0

Nb Cr Cr Sb
NbCr2Sb crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a 4-coordinate geometry to one Cr(1) and three equivalent Sb(1) atoms. The Nb(1)-Cr(1) bond length is 2.38 Å. There is one shorter (2.50 Å) and two longer (3.11 Å) Nb(1)-Sb(1) bond lengths. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted bent 120 degrees geometry to one Nb(1) and one Cr(2) atom. The Cr(1)-Cr(2) bond length is 1.91 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one Cr(1) and one Sb(1) atom. The Cr(2)-Sb(1) bond length is 0.47 Å. Sb(1) is bonded in a single-bond geometry to three equivalent Nb(1) and one Cr(2) atom.