data_Tl2AsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AsW
_chemical_formula_sum   'Tl2 As1 W1'
_cell_volume   84.37
_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  0.61  0.21  0.48  1.0
  Tl  Tl2  1  0.61  0.79  0.48  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.21  0.0  0.0  1.0

data_Tl2AsW
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.47
_cell_length_b   2.97
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   108.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Tl2AsW
_chemical_formula_sum   'Tl2 As1 W1'
_cell_volume   84.37
_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
  Tl  Tl0  1  0.61  0.5  0.21  1.0
  Tl  Tl1  1  0.61  0.5  0.79  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.21  0.0  0.0  1.0

Tl Tl As W
WTl2As crystallizes in the triclinic P1 space group. W(1) is bonded in a 1-coordinate geometry to two equivalent Tl(1), two equivalent Tl(2), and one As(1) atom. There is one shorter (2.55 Å) and one longer (2.60 Å) W(1)-Tl(1) bond length. There is one shorter (3.10 Å) and one longer (3.14 Å) W(1)-Tl(2) bond length. The W(1)-As(1) bond length is 1.16 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 8-coordinate geometry to two equivalent W(1), two equivalent Tl(1), two equivalent Tl(2), and two equivalent As(1) atoms. Both Tl(1)-Tl(1) bond lengths are 2.97 Å. There is one shorter (2.33 Å) and one longer (3.14 Å) Tl(1)-Tl(2) bond length. There is one shorter (3.10 Å) and one longer (3.14 Å) Tl(1)-As(1) bond length. In the second Tl site, Tl(2) is bonded in a 8-coordinate geometry to two equivalent W(1), two equivalent Tl(1), two equivalent Tl(2), and two equivalent As(1) atoms. Both Tl(2)-Tl(2) bond lengths are 2.97 Å. There is one shorter (2.55 Å) and one longer (2.60 Å) Tl(2)-As(1) bond length. As(1) is bonded in a 1-coordinate geometry to one W(1), two equivalent Tl(1), and two equivalent Tl(2) atoms.