data_AlTlW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.27
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlW2
_chemical_formula_sum   'Al1 Tl1 W2'
_cell_volume   72.1
_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
  Al  Al0  1  0.01  0.0  0.3  1.0
  Tl  Tl1  1  0.43  0.63  0.27  1.0
  W  W2  1  0.26  0.0  0.23  1.0
  W  W3  1  0.49  0.63  0.76  1.0

data_AlTlW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.27
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlW2
_chemical_formula_sum   'Al1 Tl1 W2'
_cell_volume   72.1
_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
  Al  Al0  1  0.01  0.0  0.3  1.0
  Tl  Tl1  1  0.43  0.63  0.27  1.0
  W  W2  1  0.26  0.0  0.23  1.0
  W  W3  1  0.49  0.63  0.76  1.0

Al Tl W W
Al Tl W W 0 2 o o o 0 3 o - o 0 3 - - o 1 2 o + o 1 3 o o o 1 3 o o - 2 3 o o - 2 3 o - - 3 3 + o o 3 3 o + o 
W2TlAl crystallizes in the triclinic P1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted water-like geometry to one Tl(1) and one Al(1) atom. The W(1)-Tl(1) bond length is 1.34 Å. The W(1)-Al(1) bond length is 0.95 Å. In the second W site, W(2) is bonded in a 6-coordinate geometry to four equivalent W(2) and two equivalent Tl(1) atoms. There are two shorter (3.14 Å) and two longer (3.27 Å) W(2)-W(2) bond lengths. There is one shorter (3.50 Å) and one longer (3.54 Å) W(2)-Tl(1) bond length. Tl(1) is bonded in a distorted single-bond geometry to one W(1) and two equivalent W(2) atoms. Al(1) is bonded in a single-bond geometry to one W(1) atom.