data_NbTl2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   9.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2Zn
_chemical_formula_sum   'Nb1 Tl2 Zn1'
_cell_volume   87.81
_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  0.83  1.0
  Tl  Tl1  1  0.72  0.0  0.28  1.0
  Tl  Tl2  1  0.72  0.0  0.38  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_NbTl2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   9.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2Zn
_chemical_formula_sum   'Nb1 Tl2 Zn1'
_cell_volume   87.81
_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  0.83  1.0
  Tl  Tl1  1  0.72  0.0  0.28  1.0
  Tl  Tl2  1  0.72  0.0  0.38  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

Nb Tl Tl Zn
Nb Tl Tl Zn 0 3 o o + 1 2 o o o 
NbZn(Tl)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one dithallium molecule and one NbZn cluster. In the NbZn cluster, Nb(1) is bonded in a single-bond geometry to one Zn(1) atom. The Nb(1)-Zn(1) bond length is 1.66 Å. Zn(1) is bonded in a distorted single-bond geometry to one Nb(1) atom.