data_NbSb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.0
_cell_length_b   9.0
_cell_length_c   9.0
_cell_angle_alpha   20.32
_cell_angle_beta   20.32
_cell_angle_gamma   20.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSb2Os
_chemical_formula_sum   'Nb1 Sb2 Os1'
_cell_volume   76.96
_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
  Sb  Sb2  1  0.0  0.0  0.96  1.0
  Sb  Sb3  1  0.0  0.0  0.48  1.0
  Os  Os1  1  0.0  0.0  0.22  1.0

data_NbSb2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   3.18
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   101.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbSb2Os
_chemical_formula_sum   'Nb2 Sb4 Os2'
_cell_volume   153.93
_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
  Sb  Sb1  2  0.0  0.0  0.52  1.0
  Sb  Sb2  2  0.0  0.0  0.04  1.0
  Os  Os3  2  0.0  0.0  0.78  1.0

Nb Sb Sb Os
Nb Sb Sb Os 0 1 o o - 0 3 o o o 1 3 o o + 2 3 o o o 
NbOsSb2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbOsSb2 clusters. Nb(1) is bonded in a distorted single-bond geometry to one Os(1) and one Sb(1) atom. The Nb(1)-Os(1) bond length is 1.97 Å. The Nb(1)-Sb(1) bond length is 0.35 Å. Os(1) is bonded in a distorted linear geometry to one Nb(1) and one Sb(2) atom. The Os(1)-Sb(2) bond length is 2.32 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 single-bond geometry to one Os(1) atom.