data_NbTlW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   4.18
_cell_length_c   4.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTlW2
_chemical_formula_sum   'Nb1 Tl1 W2'
_cell_volume   71.32
_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
  Tl  Tl1  1  0.99  0.09  0.0  1.0
  W  W2  1  0.99  0.0  0.14  1.0
  W  W3  1  0.0  0.09  0.14  1.0

data_NbTlW2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.18
_cell_length_b   3.99
_cell_length_c   4.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbTlW2
_chemical_formula_sum   'Nb1 Tl1 W2'
_cell_volume   71.32
_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
  Tl  Tl1  1  0.09  0.0  0.0  1.0
  W  W2  1  0.0  0.0  0.14  1.0
  W  W3  1  0.09  0.0  0.14  1.0

Nb Tl W W
Nb Tl W W 0 1 - o o 2 3 + o o 
NbW2Tl is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbW2Tl cluster. Nb(1) is bonded in an L-shaped geometry to one W(1) and one Tl(1) atom. The Nb(1)-W(1) bond length is 0.60 Å. The Nb(1)-Tl(1) bond length is 0.38 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in an L-shaped geometry to one Nb(1) and one W(2) atom. The W(1)-W(2) bond length is 0.38 Å. In the second W site, W(2) is bonded in an L-shaped geometry to one W(1) and one Tl(1) atom. The W(2)-Tl(1) bond length is 0.60 Å. Tl(1) is bonded in an L-shaped geometry to one Nb(1) and one W(2) atom.