data_TlOsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlOsAu
_chemical_formula_sum   'Tl1 Os1 Au1'
_cell_volume   56.05
_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  0.51  0.87  0.68  1.0
  Os  Os1  1  0.0  0.0  0.34  1.0
  Au  Au0  1  1.0  0.74  0.11  1.0

data_TlOsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlOsAu
_chemical_formula_sum   'Tl1 Os1 Au1'
_cell_volume   56.05
_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  0.51  0.87  0.68  1.0
  Os  Os1  1  0.0  0.0  0.34  1.0
  Au  Au2  1  1.0  0.74  0.11  1.0

Tl Os Au
Tl Os Au 0 1 o o o 0 1 o + o 0 1 + + o 0 2 - o + 0 2 o o + 0 0 + + o 0 0 o + o 0 0 + o o 1 2 - - o 
OsAuTl crystallizes in the triclinic P1 space group. Os(1) is bonded in a distorted single-bond geometry to one Au(1) and three equivalent Tl(1) atoms. The Os(1)-Au(1) bond length is 1.83 Å. There are a spread of Os(1)-Tl(1) bond distances ranging from 2.79-3.34 Å. Au(1) is bonded in a single-bond geometry to one Os(1) and two equivalent Tl(1) atoms. There is one shorter (3.33 Å) and one longer (3.48 Å) Au(1)-Tl(1) bond length. Tl(1) is bonded in a 11-coordinate geometry to three equivalent Os(1), two equivalent Au(1), and six equivalent Tl(1) atoms. All Tl(1)-Tl(1) bond lengths are 3.01 Å.