data_Tl2GaPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.9
_cell_angle_alpha   103.37
_cell_angle_beta   103.37
_cell_angle_gamma   34.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaPb
_chemical_formula_sum   'Tl2 Ga1 Pb1'
_cell_volume   114.73
_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  0.37  0.0  0.02  1.0
  Tl  Tl3  1  0.29  0.0  0.48  1.0
  Ga  Ga0  1  0.01  0.0  0.88  1.0
  Pb  Pb1  1  0.67  0.0  0.21  1.0

data_Tl2GaPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.9
_cell_length_c   5.96
_cell_angle_alpha   103.37
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaPb
_chemical_formula_sum   'Tl2 Ga1 Pb1'
_cell_volume   114.73
_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  0.0  0.02  0.37  1.0
  Tl  Tl1  1  0.0  0.48  0.29  1.0
  Ga  Ga2  1  0.0  0.88  0.01  1.0
  Pb  Pb3  1  0.0  0.21  0.67  1.0

Tl Tl Ga Pb
Tl2GaPb 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 linear geometry to two equivalent Tl(2), one Ga(1), and one Pb(1) atom. There is one shorter (2.89 Å) and one longer (3.08 Å) Tl(1)-Tl(2) bond length. The Tl(1)-Ga(1) bond length is 2.15 Å. The Tl(1)-Pb(1) bond length is 1.88 Å. In the second Tl site, Tl(2) is bonded in a 7-coordinate geometry to two equivalent Tl(1), two equivalent Tl(2), one Ga(1), and two equivalent Pb(1) atoms. Both Tl(2)-Tl(2) bond lengths are 3.52 Å. The Tl(2)-Ga(1) bond length is 3.19 Å. There is one shorter (3.07 Å) and one longer (3.66 Å) Tl(2)-Pb(1) bond length. Ga(1) is bonded in a 3-coordinate geometry to one Tl(1), one Tl(2), and one Pb(1) atom. The Ga(1)-Pb(1) bond length is 3.10 Å. Pb(1) is bonded in a distorted single-bond geometry to one Tl(1), two equivalent Tl(2), and one Ga(1) atom.