data_NbTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   151.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl
_chemical_formula_sum   'Nb2 Tl2'
_cell_volume   83.5
_cell_formula_units_Z   2
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  0.5  0.27  0.58  1.0
  Nb  Nb1  1  0.5  0.73  0.19  1.0
  Tl  Tl2  1  0.5  0.13  0.58  1.0
  Tl  Tl3  1  0.5  0.87  0.19  1.0

data_NbTl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.0
_cell_length_b   4.78
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   104.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbTl
_chemical_formula_sum   'Nb2 Tl2'
_cell_volume   83.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.27  0.31  0.77  1.0
  Tl  Tl1  2  0.13  0.31  0.63  1.0

Nb Nb Tl Tl
Nb Nb Tl Tl 0 2 o o o 1 3 o o o 
NbTl crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two NbTl clusters. Nb(1) is bonded in a single-bond geometry to one Tl(1) atom. The Nb(1)-Tl(1) bond length is 0.87 Å. Tl(1) is bonded in a single-bond geometry to one Nb(1) atom.