data_Al3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   151.71
_cell_angle_beta   129.7
_cell_angle_gamma   58.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Tl
_chemical_formula_sum   'Al3 Tl1'
_cell_volume   83.47
_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  0.5  0.0  0.39  1.0
  Al  Al1  1  0.0  0.61  0.96  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.34  1.0

data_Al3Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.21
_cell_length_c   6.13
_cell_angle_alpha   115.15
_cell_angle_beta   104.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Tl
_chemical_formula_sum   'Al3 Tl1'
_cell_volume   83.47
_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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.04  0.65  0.65  1.0
  Al  Al2  1  0.11  0.61  0.11  1.0
  Tl  Tl3  1  0.66  0.66  0.66  1.0

Al Al Al Tl
TlAl3 crystallizes in the triclinic P1 space group. Tl(1) is bonded in a 3-coordinate geometry to one Al(3), two equivalent Al(1), and two equivalent Al(2) atoms. The Tl(1)-Al(3) bond length is 2.11 Å. There is one shorter (2.89 Å) and one longer (3.25 Å) Tl(1)-Al(1) bond length. There is one shorter (1.17 Å) and one longer (1.83 Å) Tl(1)-Al(2) bond length. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 7-coordinate geometry to two equivalent Tl(1), one Al(2), two equivalent Al(1), and two equivalent Al(3) atoms. The Al(1)-Al(2) bond length is 2.88 Å. Both Al(1)-Al(1) bond lengths are 3.00 Å. There is one shorter (2.39 Å) and one longer (2.97 Å) Al(1)-Al(3) bond length. In the second Al site, Al(2) is bonded in a distorted linear geometry to two equivalent Tl(1), one Al(1), and one Al(3) atom. The Al(2)-Al(3) bond length is 2.19 Å. In the third Al site, Al(3) is bonded in a 6-coordinate geometry to one Tl(1), one Al(2), two equivalent Al(1), and two equivalent Al(3) atoms. Both Al(3)-Al(3) bond lengths are 3.00 Å.