data_Tl3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   130.89
_cell_angle_beta   130.89
_cell_angle_gamma   72.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Os
_chemical_formula_sum   'Tl3 Os1'
_cell_volume   90.24
_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  0.26  0.0  0.2  1.0
  Tl  Tl2  1  0.0  0.0  0.41  1.0
  Tl  Tl3  1  0.0  0.26  0.2  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0

data_Tl3Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   126.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl3Os
_chemical_formula_sum   'Tl6 Os2'
_cell_volume   180.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.37  0.37  0.94  1.0
  Tl  Tl1  2  0.0  0.0  0.41  1.0
  Os  Os2  2  0.0  0.0  0.0  1.0

Tl Tl Tl Os
OsTl3 crystallizes in the monoclinic Cm space group. Os(1) is bonded in a water-like geometry to two equivalent Tl(1) and two equivalent Tl(2) atoms. Both Os(1)-Tl(1) bond lengths are 1.10 Å. There is one shorter (2.21 Å) and one longer (3.24 Å) Os(1)-Tl(2) bond length. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a single-bond geometry to one Os(1) and two equivalent Tl(2) atoms. There is one shorter (2.31 Å) and one longer (3.39 Å) Tl(1)-Tl(2) bond length. In the second Tl site, Tl(2) is bonded in a 6-coordinate geometry to two equivalent Os(1) and four equivalent Tl(1) atoms.