data_LiTlRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   4.95
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlRe2
_chemical_formula_sum   'Li1 Tl1 Re2'
_cell_volume   67.5
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.43  0.0  0.35  1.0
  Re  Re1  1  0.87  0.48  0.07  1.0
  Re  Re2  1  1.0  0.48  0.63  1.0

data_LiTlRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.7
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlRe2
_chemical_formula_sum   'Li1 Tl1 Re2'
_cell_volume   67.5
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.57  0.65  0.0  1.0
  Re  Re2  1  0.0  0.37  0.52  1.0
  Re  Re3  1  0.13  0.93  0.52  1.0

Li Tl Re Re
LiRe2Tl crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent Re(1), two equivalent Re(2), and two equivalent Tl(1) atoms. There is one shorter (2.42 Å) and one longer (2.64 Å) Li(1)-Re(1) bond length. There is one shorter (2.93 Å) and one longer (3.11 Å) Li(1)-Re(2) bond length. There is one shorter (2.06 Å) and one longer (2.34 Å) Li(1)-Tl(1) bond length. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and two equivalent Re(2) atoms. There is one shorter (2.08 Å) and one longer (2.68 Å) Re(1)-Re(2) bond length. In the second Re site, Re(2) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent Re(1), two equivalent Re(2), and four equivalent Tl(1) atoms. Both Re(2)-Re(2) bond lengths are 2.90 Å. There are a spread of Re(2)-Tl(1) bond distances ranging from 2.99-3.34 Å. Tl(1) is bonded in a 2-coordinate geometry to two equivalent Li(1) and four equivalent Re(2) atoms.