data_Tl5Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   9.35
_cell_length_c   9.35
_cell_angle_alpha   20.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Os
_chemical_formula_sum   'Tl5 Os1'
_cell_volume   158.69
_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  0.74  1.0
  Tl  Tl2  1  0.0  0.0  0.59  1.0
  Tl  Tl3  1  0.64  0.0  0.06  1.0
  Tl  Tl4  1  0.64  0.0  0.21  1.0
  Tl  Tl5  1  0.64  0.0  0.58  1.0
  Os  Os0  1  0.0  0.0  0.36  1.0

data_Tl5Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.28
_cell_length_c   9.35
_cell_angle_alpha   90.0
_cell_angle_beta   100.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl5Os
_chemical_formula_sum   'Tl5 Os1'
_cell_volume   158.69
_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  0.26  0.0  0.26  1.0
  Tl  Tl1  1  0.41  0.0  0.41  1.0
  Tl  Tl2  1  0.42  0.64  0.42  1.0
  Tl  Tl3  1  0.79  0.64  0.79  1.0
  Tl  Tl4  1  0.94  0.64  0.94  1.0
  Os  Os5  1  0.64  0.0  0.64  1.0

Tl Tl Tl Tl Tl Os
OsTl5 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one OsTl5 cluster. Os(1) is bonded in a distorted bent 120 degrees geometry to one Tl(2), one Tl(4), and one Tl(5) atom. The Os(1)-Tl(2) bond length is 2.18 Å. The Os(1)-Tl(4) bond length is 2.37 Å. The Os(1)-Tl(5) bond length is 2.80 Å. There are five inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Tl(2) atom. The Tl(1)-Tl(2) bond length is 1.38 Å. In the second Tl site, Tl(2) is bonded in a distorted T-shaped geometry to one Os(1), one Tl(1), and one Tl(5) atom. The Tl(2)-Tl(5) bond length is 1.90 Å. In the third Tl site, Tl(3) is bonded in a single-bond geometry to one Tl(4) atom. The Tl(3)-Tl(4) bond length is 1.35 Å. In the fourth Tl site, Tl(4) is bonded in a bent 120 degrees geometry to one Os(1) and one Tl(3) atom. In the fifth Tl site, Tl(5) is bonded in a 2-coordinate geometry to one Os(1) and one Tl(2) atom.