data_TaAlTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlTl2
_chemical_formula_sum   'Ta1 Al1 Tl2'
_cell_volume   85.49
_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
  Ta  Ta1  1  0.02  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.51  0.76  0.58  1.0
  Tl  Tl3  1  0.51  0.24  0.58  1.0

data_TaAlTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   112.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlTl2
_chemical_formula_sum   'Ta1 Al1 Tl2'
_cell_volume   85.49
_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
  Ta  Ta0  1  0.0  0.02  0.0  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.58  0.51  0.24  1.0
  Tl  Tl3  1  0.58  0.51  0.76  1.0

Ta Al Tl Tl
TaTl2Al crystallizes in the triclinic P1 space group. Ta(1) is bonded in a single-bond geometry to two equivalent Tl(1), two equivalent Tl(2), and one Al(1) atom. There is one shorter (3.63 Å) and one longer (3.84 Å) Ta(1)-Tl(1) bond length. There is one shorter (2.81 Å) and one longer (3.07 Å) Ta(1)-Tl(2) bond length. The Ta(1)-Al(1) bond length is 0.11 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 8-coordinate geometry to two equivalent Ta(1), two equivalent Tl(1), two equivalent Tl(2), and two equivalent Al(1) atoms. Both Tl(1)-Tl(1) bond lengths are 3.15 Å. There is one shorter (2.65 Å) and one longer (2.76 Å) Tl(1)-Tl(2) bond length. There is one shorter (2.81 Å) and one longer (3.07 Å) Tl(1)-Al(1) bond length. In the second Tl site, Tl(2) is bonded in a 6-coordinate geometry to two equivalent Ta(1), two equivalent Tl(1), and two equivalent Tl(2) atoms. Both Tl(2)-Tl(2) bond lengths are 3.15 Å. Al(1) is bonded in a single-bond geometry to one Ta(1) and two equivalent Tl(1) atoms.