data_Tl5Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   9.15
_cell_length_c   9.15
_cell_angle_alpha   21.75
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Si
_chemical_formula_sum   'Tl5 Si1'
_cell_volume   171.75
_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  Tl1  1  0.0  0.0  0.75  1.0
  Tl  Tl2  1  0.0  0.0  0.22  1.0
  Tl  Tl3  1  0.77  0.0  0.88  1.0
  Tl  Tl4  1  0.77  0.0  0.03  1.0
  Tl  Tl5  1  0.77  0.0  0.06  1.0
  Si  Si0  1  0.0  0.0  0.94  1.0

data_Tl5Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.54
_cell_length_c   9.15
_cell_angle_alpha   90.0
_cell_angle_beta   100.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Si
_chemical_formula_sum   'Tl5 Si1'
_cell_volume   171.75
_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  0.12  0.77  0.12  1.0
  Tl  Tl1  1  0.25  0.0  0.25  1.0
  Tl  Tl2  1  0.78  0.0  0.78  1.0
  Tl  Tl3  1  0.94  0.77  0.94  1.0
  Tl  Tl4  1  0.97  0.77  0.97  1.0
  Si  Si5  1  0.06  0.0  0.06  1.0

Tl Tl Tl Tl Tl Si
Tl Tl Tl Tl Tl Si 0 2 - o o 0 5 o o o 1 4 - o o 1 3 - o o 2 5 + o o 2 4 o o + 2 3 o o + 3 4 o o o 3 5 + o - 4 5 + o - 
Tl5Si crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Tl5Si cluster. There are five inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one Si(1) atom. The Tl(1)-Si(1) bond length is 1.67 Å. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one Tl(5) and one Si(1) atom. The Tl(2)-Tl(5) bond length is 1.96 Å. The Tl(2)-Si(1) bond length is 2.58 Å. In the third Tl site, Tl(3) is bonded in a distorted single-bond geometry to one Tl(4) and one Si(1) atom. The Tl(3)-Tl(4) bond length is 1.40 Å. The Tl(3)-Si(1) bond length is 1.37 Å. In the fourth Tl site, Tl(4) is bonded in a distorted trigonal planar geometry to one Tl(3), one Tl(5), and one Si(1) atom. The Tl(4)-Tl(5) bond length is 0.21 Å. The Tl(4)-Si(1) bond length is 1.55 Å. In the fifth Tl site, Tl(5) is bonded in a single-bond geometry to one Tl(2) and one Tl(4) atom. Si(1) is bonded in a 3-coordinate geometry to one Tl(1), one Tl(2), one Tl(3), and one Tl(4) atom.