data_Nb2TlAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.31
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TlAg
_chemical_formula_sum   'Nb2 Tl1 Ag1'
_cell_volume   78.42
_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  0.47  0.16  0.04  1.0
  Nb  Nb2  1  0.0  0.0  0.44  1.0
  Tl  Tl3  1  0.47  0.16  0.11  1.0
  Ag  Ag0  1  0.0  0.0  0.68  1.0

data_Nb2TlAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.31
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TlAg
_chemical_formula_sum   'Nb2 Tl1 Ag1'
_cell_volume   78.42
_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  0.44  1.0
  Nb  Nb1  1  0.47  0.16  0.04  1.0
  Tl  Tl2  1  0.47  0.16  0.11  1.0
  Ag  Ag3  1  0.0  0.0  0.68  1.0

Nb Nb Tl Ag
AgNb1NbTl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one AgNb1 cluster and one NbTl cluster. In the AgNb1 cluster, Nb(2) is bonded in a single-bond geometry to one Ag(1) atom. The Nb(2)-Ag(1) bond length is 1.49 Å. Ag(1) is bonded in a distorted single-bond geometry to one Nb(2) atom. In the NbTl cluster, Nb(1) is bonded in a single-bond geometry to one Tl(1) atom. The Nb(1)-Tl(1) bond length is 0.39 Å. Tl(1) is bonded in a single-bond geometry to one Nb(1) atom.