data_TlW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlW2Au
_chemical_formula_sum   'Tl1 W2 Au1'
_cell_volume   72.26
_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  0.37  1.0
  W  W2  1  0.44  0.44  0.68  1.0
  W  W3  1  0.44  0.44  0.06  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_TlW2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlW2Au
_chemical_formula_sum   'Tl2 W4 Au2'
_cell_volume   144.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.37  1.0
  W  W1  2  0.44  0.0  0.06  1.0
  W  W2  2  0.44  0.0  0.68  1.0
  Au  Au3  2  0.0  0.0  0.0  1.0

Tl W W Au
W2AuTl crystallizes in the monoclinic Cm space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 13-coordinate geometry to one W(2), four equivalent W(1), four equivalent Au(1), and four equivalent Tl(1) atoms. The W(1)-W(2) bond length is 3.32 Å. All W(1)-W(1) bond lengths are 2.88 Å. There are a spread of W(1)-Au(1) bond distances ranging from 3.33-3.62 Å. There are a spread of W(1)-Tl(1) bond distances ranging from 3.24-3.54 Å. In the second W site, W(2) is bonded in a 4-coordinate geometry to one W(1), four equivalent Au(1), and four equivalent Tl(1) atoms. There are a spread of W(2)-Au(1) bond distances ranging from 1.85-2.34 Å. There are a spread of W(2)-Tl(1) bond distances ranging from 3.24-3.54 Å. Au(1) is bonded in a 4-coordinate geometry to four equivalent W(1), four equivalent W(2), and one Tl(1) atom. The Au(1)-Tl(1) bond length is 3.21 Å. Tl(1) is bonded in a 13-coordinate geometry to four equivalent W(1), four equivalent W(2), one Au(1), and four equivalent Tl(1) atoms. All Tl(1)-Tl(1) bond lengths are 2.88 Å.