data_Tl2SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   3.27
_cell_angle_alpha   92.0
_cell_angle_beta   92.0
_cell_angle_gamma   118.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SiBi
_chemical_formula_sum   'Tl2 Si1 Bi1'
_cell_volume   111.99
_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  0.49  0.68  0.63  1.0
  Tl  Tl3  1  0.49  0.32  0.63  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.2  0.0  0.0  1.0

data_Tl2SiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   118.26
_cell_angle_beta   92.0
_cell_angle_gamma   92.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SiBi
_chemical_formula_sum   'Tl2 Si1 Bi1'
_cell_volume   111.99
_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  0.63  0.49  0.32  1.0
  Tl  Tl1  1  0.63  0.49  0.68  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.2  0.0  1.0

Tl Tl Si Bi
Tl2SiBi crystallizes in the triclinic P1 space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 5-coordinate geometry to one Tl(2), two equivalent Tl(1), one Si(1), and one Bi(1) atom. The Tl(1)-Tl(2) bond length is 2.23 Å. Both Tl(1)-Tl(1) bond lengths are 3.27 Å. The Tl(1)-Si(1) bond length is 3.02 Å. The Tl(1)-Bi(1) bond length is 3.48 Å. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one Tl(1) and two equivalent Bi(1) atoms. There is one shorter (2.37 Å) and one longer (2.75 Å) Tl(2)-Bi(1) bond length. Si(1) is bonded in a distorted single-bond geometry to one Tl(1) and one Bi(1) atom. The Si(1)-Bi(1) bond length is 1.26 Å. Bi(1) is bonded in a 1-coordinate geometry to one Tl(1), two equivalent Tl(2), and one Si(1) atom.