data_TlHgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.29
_cell_angle_alpha   94.87
_cell_angle_beta   94.87
_cell_angle_gamma   31.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHgW2
_chemical_formula_sum   'Tl1 Hg1 W2'
_cell_volume   76.06
_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  0.42  0.0  0.39  1.0
  Hg  Hg0  1  0.84  0.0  0.58  1.0
  W  W2  1  0.55  0.0  0.12  1.0
  W  W3  1  0.12  0.0  0.1  1.0

data_TlHgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.23
_cell_length_c   5.29
_cell_angle_alpha   94.87
_cell_angle_beta   90.0
_cell_angle_gamma   105.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHgW2
_chemical_formula_sum   'Tl1 Hg1 W2'
_cell_volume   76.06
_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  0.58  0.61  1.0
  Hg  Hg1  1  0.0  0.16  0.42  1.0
  W  W2  1  0.0  0.45  0.88  1.0
  W  W3  1  0.0  0.88  0.9  1.0

Tl Hg W W
Tl Hg W W 0 2 o o o 0 1 - + o 0 1 o o o 0 3 o o o 1 2 o o o 1 1 + - o 1 3 + o o 1 3 + o + 2 3 o o o 
W2HgTl crystallizes in the triclinic P1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a single-bond geometry to two equivalent Hg(1) and one Tl(1) atom. There is one shorter (2.78 Å) and one longer (3.33 Å) W(1)-Hg(1) bond length. The W(1)-Tl(1) bond length is 1.60 Å. In the second W site, W(2) is bonded in a distorted single-bond geometry to two equivalent Hg(1) and one Tl(1) atom. There is one shorter (2.96 Å) and one longer (3.08 Å) W(2)-Hg(1) bond length. The W(2)-Tl(1) bond length is 2.11 Å. Hg(1) is bonded in a 9-coordinate geometry to two equivalent W(1), two equivalent W(2), two equivalent Hg(1), and three equivalent Tl(1) atoms. Both Hg(1)-Hg(1) bond lengths are 2.87 Å. There are a spread of Hg(1)-Tl(1) bond distances ranging from 2.35-3.31 Å. Tl(1) is bonded in a 1-coordinate geometry to one W(1), one W(2), and three equivalent Hg(1) atoms.