data_AlTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   3.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2
_chemical_formula_sum   'Al1 Tl2'
_cell_volume   82.58
_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
  Tl  Tl1  1  0.0  0.17  0.58  1.0
  Tl  Tl2  1  0.75  0.59  0.58  1.0

data_AlTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2
_chemical_formula_sum   'Al1 Tl2'
_cell_volume   82.58
_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
  Tl  Tl1  1  0.58  -0.0  0.17  1.0
  Tl  Tl2  1  0.58  0.75  0.59  1.0

Al Tl Tl
Al Tl Tl 0 1 o o - 0 2 - - o 0 2 - - - 1 2 - - o 
Tl2Al crystallizes in the triclinic P1 space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted bent 120 degrees geometry to three equivalent Tl(2) and two equivalent Al(1) atoms. There are a spread of Tl(1)-Tl(2) bond distances ranging from 2.80-3.56 Å. There is one shorter (1.63 Å) and one longer (2.06 Å) Tl(1)-Al(1) bond length. In the second Tl site, Tl(2) is bonded in a 7-coordinate geometry to two equivalent Tl(2), three equivalent Tl(1), and two equivalent Al(1) atoms. Both Tl(2)-Tl(2) bond lengths are 3.16 Å. There is one shorter (2.39 Å) and one longer (2.70 Å) Tl(2)-Al(1) bond length. Al(1) is bonded in a 4-coordinate geometry to two equivalent Tl(1) and two equivalent Tl(2) atoms.