data_NbHg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   131.23
_cell_angle_beta   131.23
_cell_angle_gamma   71.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHg2Os
_chemical_formula_sum   'Nb1 Hg2 Os1'
_cell_volume   73.05
_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
  Hg  Hg0  1  0.0  0.0  0.13  1.0
  Hg  Hg1  1  0.0  0.1  0.07  1.0
  Os  Os3  1  0.1  0.0  0.07  1.0

data_NbHg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.09
_cell_angle_alpha   114.38
_cell_angle_beta   114.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHg2Os
_chemical_formula_sum   'Nb1 Hg2 Os1'
_cell_volume   73.05
_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
  Hg  Hg1  1  0.13  0.13  0.13  1.0
  Hg  Hg2  1  0.96  0.07  0.96  1.0
  Os  Os3  1  0.07  0.96  0.96  1.0

Nb Hg Hg Os
NbOsHg2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbOsHg2 cluster. Nb(1) is bonded in a distorted water-like geometry to one Os(1), one Hg(1), and one Hg(2) atom. The Nb(1)-Os(1) bond length is 0.39 Å. The Nb(1)-Hg(1) bond length is 0.68 Å. The Nb(1)-Hg(2) bond length is 0.39 Å. Os(1) is bonded in a single-bond geometry to one Nb(1) and one Hg(1) atom. The Os(1)-Hg(1) bond length is 0.79 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 3-coordinate geometry to one Nb(1), one Os(1), and one Hg(2) atom. The Hg(1)-Hg(2) bond length is 0.79 Å. In the second Hg site, Hg(2) is bonded in a single-bond geometry to one Nb(1) and one Hg(1) atom.