data_TlNiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   142.02
_cell_angle_beta   133.02
_cell_angle_gamma   61.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNiW2
_chemical_formula_sum   'Tl1 Ni1 W2'
_cell_volume   65.17
_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
  Tl  Tl1  1  0.0  0.0  0.52  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.72  0.0  0.18  1.0
  W  W3  1  0.0  0.1  0.34  1.0

data_TlNiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.2
_cell_length_c   5.27
_cell_angle_alpha   113.49
_cell_angle_beta   108.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlNiW2
_chemical_formula_sum   'Tl1 Ni1 W2'
_cell_volume   65.17
_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
  Tl  Tl0  1  0.48  0.48  0.48  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.53  0.82  0.53  1.0
  W  W3  1  0.66  0.77  0.77  1.0

Tl Ni W W
Tl Ni W W 0 3 o o o 0 2 - o o 1 3 o o o 2 3 + o o 
W2NiTl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one W2NiTl cluster. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 1-coordinate geometry to one W(2) and one Tl(1) atom. The W(1)-W(2) bond length is 1.27 Å. The W(1)-Tl(1) bond length is 1.33 Å. In the second W site, W(2) is bonded in a 3-coordinate geometry to one W(1), one Ni(1), and one Tl(1) atom. The W(2)-Ni(1) bond length is 1.39 Å. The W(2)-Tl(1) bond length is 1.43 Å. Ni(1) is bonded in a distorted single-bond geometry to one W(2) atom. Tl(1) is bonded in a 2-coordinate geometry to one W(1) and one W(2) atom.