data_AlTlRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   5.26
_cell_angle_alpha   100.76
_cell_angle_beta   100.76
_cell_angle_gamma   36.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlRe2
_chemical_formula_sum   'Al1 Tl1 Re2'
_cell_volume   68.59
_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  Tl3  1  0.98  0.0  0.58  1.0
  Re  Re1  1  0.51  0.0  0.11  1.0
  Re  Re2  1  0.46  0.0  0.05  1.0

data_AlTlRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.74
_cell_length_c   5.26
_cell_angle_alpha   100.76
_cell_angle_beta   90.0
_cell_angle_gamma   108.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlRe2
_chemical_formula_sum   'Al1 Tl1 Re2'
_cell_volume   68.59
_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  0.02  0.42  1.0
  Re  Re2  1  0.0  0.49  0.89  1.0
  Re  Re3  1  0.0  0.54  0.95  1.0

Al Tl Re Re
Re2TlAl crystallizes in the triclinic P1 space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a single-bond geometry to one Re(2), one Tl(1), and one Al(1) atom. The Re(1)-Re(2) bond length is 0.37 Å. The Re(1)-Tl(1) bond length is 3.01 Å. The Re(1)-Al(1) bond length is 2.50 Å. In the second Re site, Re(2) is bonded in a distorted single-bond geometry to one Re(1), one Tl(1), and one Al(1) atom. The Re(2)-Tl(1) bond length is 3.01 Å. The Re(2)-Al(1) bond length is 2.15 Å. Tl(1) is bonded in a 6-coordinate geometry to one Re(1), one Re(2), two equivalent Tl(1), and two equivalent Al(1) atoms. Both Tl(1)-Tl(1) bond lengths are 2.96 Å. There is one shorter (2.21 Å) and one longer (3.06 Å) Tl(1)-Al(1) bond length. Al(1) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and two equivalent Tl(1) atoms.