data_TlWCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   6.29
_cell_angle_alpha   117.25
_cell_angle_beta   117.25
_cell_angle_gamma   30.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlWCl2
_chemical_formula_sum   'Tl1 W1 Cl2'
_cell_volume   95.65
_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  Tl2  1  0.44  0.0  0.49  1.0
  W  W3  1  0.47  0.0  0.45  1.0
  Cl  Cl0  1  0.3  0.0  0.33  1.0
  Cl  Cl1  1  0.4  0.0  0.56  1.0

data_TlWCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.82
_cell_length_c   6.29
_cell_angle_alpha   117.25
_cell_angle_beta   90.0
_cell_angle_gamma   105.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlWCl2
_chemical_formula_sum   'Tl1 W1 Cl2'
_cell_volume   95.65
_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  0.0  0.56  0.51  1.0
  W  W1  1  0.0  0.53  0.55  1.0
  Cl  Cl2  1  0.0  0.6  0.44  1.0
  Cl  Cl3  1  0.0  0.7  0.67  1.0

Tl W Cl Cl
Tl W Cl Cl 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 
WTlCl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one WTlCl2 cluster. W(1) is bonded in a distorted single-bond geometry to one Tl(1) and one Cl(1) atom. The W(1)-Tl(1) bond length is 0.40 Å. The W(1)-Cl(1) bond length is 0.91 Å. Tl(1) is bonded in a distorted trigonal non-coplanar geometry to one W(1), one Cl(1), and one Cl(2) atom. The Tl(1)-Cl(1) bond length is 0.95 Å. The Tl(1)-Cl(2) bond length is 0.59 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one W(1) and one Tl(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Tl(1) atom.