data_Nb2TlTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   4.21
_cell_length_c   4.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TlTc
_chemical_formula_sum   'Nb2 Tl1 Tc1'
_cell_volume   71.73
_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
  Nb  Nb1  1  1.0  0.11  0.0  1.0
  Tl  Tl3  1  0.0  0.11  0.13  1.0
  Tc  Tc2  1  1.0  0.0  0.13  1.0

data_Nb2TlTc
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.21
_cell_length_b   3.99
_cell_length_c   4.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Nb2TlTc
_chemical_formula_sum   'Nb2 Tl1 Tc1'
_cell_volume   71.73
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.11  0.0  -0.0  1.0
  Tl  Tl2  1  0.11  0.0  0.13  1.0
  Tc  Tc3  1  0.0  0.0  0.13  1.0

Nb Nb Tl Tc
Nb2TcTl is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Nb2TcTl cluster. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in an L-shaped geometry to one Nb(2) and one Tc(1) atom. The Nb(1)-Nb(2) bond length is 0.44 Å. The Nb(1)-Tc(1) bond length is 0.57 Å. In the second Nb site, Nb(2) is bonded in an L-shaped geometry to one Nb(1) and one Tl(1) atom. The Nb(2)-Tl(1) bond length is 0.57 Å. Tc(1) is bonded in an L-shaped geometry to one Nb(1) and one Tl(1) atom. The Tc(1)-Tl(1) bond length is 0.44 Å. Tl(1) is bonded in a distorted L-shaped geometry to one Nb(2) and one Tc(1) atom.