data_Tl2RePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2RePb
_chemical_formula_sum   'Tl2 Re1 Pb1'
_cell_volume   97.4
_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
  Tl  Tl2  1  0.63  0.32  0.61  1.0
  Tl  Tl3  1  0.63  0.68  0.61  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.25  0.0  0.0  1.0

data_Tl2RePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   109.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2RePb
_chemical_formula_sum   'Tl2 Re1 Pb1'
_cell_volume   97.4
_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
  Tl  Tl0  1  0.61  0.63  0.32  1.0
  Tl  Tl1  1  0.61  0.63  0.68  1.0
  Re  Re2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.25  0.0  1.0

Tl Tl Re Pb
ReTl2Pb crystallizes in the triclinic P1 space group. Re(1) is bonded in a distorted single-bond geometry to two equivalent Tl(2) and one Pb(1) atom. There is one shorter (2.58 Å) and one longer (3.01 Å) Re(1)-Tl(2) bond length. The Re(1)-Pb(1) bond length is 1.44 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one Tl(2) and two equivalent Pb(1) atoms. The Tl(1)-Tl(2) bond length is 2.06 Å. There is one shorter (2.58 Å) and one longer (3.01 Å) Tl(1)-Pb(1) bond length. In the second Tl site, Tl(2) is bonded in a 4-coordinate geometry to two equivalent Re(1), one Tl(1), and one Pb(1) atom. The Tl(2)-Pb(1) bond length is 3.44 Å. Pb(1) is bonded in a 1-coordinate geometry to one Re(1), one Tl(2), and two equivalent Tl(1) atoms.