data_NbHgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.48
_cell_length_b   11.48
_cell_length_c   11.48
_cell_angle_alpha   16.57
_cell_angle_beta   16.57
_cell_angle_gamma   16.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHgSb2
_chemical_formula_sum   'Nb1 Hg1 Sb2'
_cell_volume   107.2
_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  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.97  1.0
  Sb  Sb2  1  0.0  0.0  0.13  1.0
  Sb  Sb3  1  0.0  0.0  0.82  1.0

data_NbHgSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.73
_cell_length_b   3.31
_cell_length_c   11.48
_cell_angle_alpha   90.0
_cell_angle_beta   99.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbHgSb2
_chemical_formula_sum   'Nb2 Hg2 Sb4'
_cell_volume   214.4
_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
  Hg  Hg1  2  0.0  0.0  0.03  1.0
  Sb  Sb2  2  0.0  0.0  0.87  1.0
  Sb  Sb3  2  0.0  0.0  0.18  1.0

Nb Hg Sb Sb
NbHgSb2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbHgSb2 clusters. Nb(1) is bonded in a distorted linear geometry to one Hg(1) and one Sb(1) atom. The Nb(1)-Hg(1) bond length is 0.31 Å. The Nb(1)-Sb(1) bond length is 1.46 Å. Hg(1) is bonded in a single-bond geometry to one Nb(1) and one Sb(2) atom. The Hg(1)-Sb(2) bond length is 1.78 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 Hg(1) atom.