data_ZrNbSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.08
_cell_length_b   9.08
_cell_length_c   9.08
_cell_angle_alpha   21.58
_cell_angle_beta   21.58
_cell_angle_gamma   21.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNbSb2
_chemical_formula_sum   'Zr1 Nb1 Sb2'
_cell_volume   88.77
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.0  0.0  0.3  1.0
  Sb  Sb1  1  0.0  0.0  0.52  1.0
  Sb  Sb2  1  0.0  0.0  0.08  1.0

data_ZrNbSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   3.4
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   102.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrNbSb2
_chemical_formula_sum   'Zr2 Nb2 Sb4'
_cell_volume   177.55
_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
  Zr  Zr0  2  0.0  0.0  0.0  1.0
  Nb  Nb1  2  0.0  0.0  0.7  1.0
  Sb  Sb2  2  0.0  0.0  0.48  1.0
  Sb  Sb3  2  0.0  0.0  0.92  1.0

Zr Nb Sb Sb
Zr Nb Sb Sb 0 3 o o o 1 3 o o o 1 2 o o o 
ZrNbSb2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrNbSb2 clusters. Zr(1) is bonded in a single-bond geometry to one Sb(2) atom. The Zr(1)-Sb(2) bond length is 0.69 Å. Nb(1) is bonded in a linear geometry to one Sb(1) and one Sb(2) atom. The Nb(1)-Sb(1) bond length is 2.03 Å. The Nb(1)-Sb(2) bond length is 2.03 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Nb(1) atom. In the second Sb site, Sb(2) is bonded in a distorted single-bond geometry to one Zr(1) and one Nb(1) atom.