data_Nb2TlTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   132.83
_cell_angle_beta   132.83
_cell_angle_gamma   68.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TlTc
_chemical_formula_sum   'Nb2 Tl1 Tc1'
_cell_volume   71.89
_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  0.06  0.12  1.0
  Nb  Nb1  1  0.06  0.0  0.12  1.0
  Tl  Tl3  1  0.0  0.0  0.24  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0

data_Nb2TlTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   124.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2TlTc
_chemical_formula_sum   'Nb4 Tl2 Tc2'
_cell_volume   143.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.41  0.47  0.94  1.0
  Tl  Tl1  2  0.26  0.5  0.76  1.0
  Tc  Tc2  2  0.0  0.0  0.0  1.0

Nb Nb Tl Tc
Nb2TcTl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Nb2TcTl clusters. Nb(1) is bonded in a 2-coordinate geometry to one Nb(1), one Tc(1), and one Tl(1) atom. The Nb(1)-Nb(1) bond length is 0.34 Å. The Nb(1)-Tc(1) bond length is 0.47 Å. The Nb(1)-Tl(1) bond length is 0.85 Å. Tc(1) is bonded in a 2-coordinate geometry to two equivalent Nb(1) atoms. Tl(1) is bonded in a 2-coordinate geometry to two equivalent Nb(1) atoms.