data_Nb2ZnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.15
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnHg
_chemical_formula_sum   'Nb2 Zn1 Hg1'
_cell_volume   73.44
_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  0.1  1.0
  Nb  Nb2  1  0.47  0.08  0.52  1.0
  Zn  Zn3  1  0.0  0.0  0.94  1.0
  Hg  Hg0  1  0.47  0.08  0.48  1.0

data_Nb2ZnHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.15
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnHg
_chemical_formula_sum   'Nb2 Zn1 Hg1'
_cell_volume   73.44
_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  0.1  1.0
  Nb  Nb1  1  0.47  0.08  0.52  1.0
  Zn  Zn2  1  0.0  0.0  0.94  1.0
  Hg  Hg3  1  0.47  0.08  0.48  1.0

Nb Nb Zn Hg
Nb Nb Zn Hg 0 2 o o - 1 3 o o o 
NbHgNbZn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one mercury;niobium molecule and one NbZn cluster. In the NbZn cluster, Nb(1) is bonded in a distorted single-bond geometry to one Zn(1) atom. The Nb(1)-Zn(1) bond length is 0.97 Å. Zn(1) is bonded in a single-bond geometry to one Nb(1) atom.