data_Al2TlOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   155.28
_cell_angle_beta   144.58
_cell_angle_gamma   43.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlOs
_chemical_formula_sum   'Al2 Tl1 Os1'
_cell_volume   78.64
_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
  Al  Al0  1  0.0  0.0  0.71  1.0
  Al  Al1  1  0.47  0.0  0.18  1.0
  Tl  Tl3  1  0.0  0.09  0.44  1.0
  Os  Os2  1  0.0  0.0  0.21  1.0

data_Al2TlOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.18
_cell_length_c   6.88
_cell_angle_alpha   107.71
_cell_angle_beta   102.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlOs
_chemical_formula_sum   'Al2 Tl1 Os1'
_cell_volume   78.64
_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
  Al  Al0  1  0.0  0.18  0.71  1.0
  Al  Al1  1  0.0  0.71  0.71  1.0
  Tl  Tl2  1  0.91  0.34  0.34  1.0
  Os  Os3  1  0.0  0.21  0.21  1.0

Al Al Tl Os
OsTlAl2 crystallizes in the triclinic P1 space group. Os(1) is bonded in a single-bond geometry to one Tl(1) and one Al(2) atom. The Os(1)-Tl(1) bond length is 1.00 Å. The Os(1)-Al(2) bond length is 3.43 Å. Tl(1) is bonded in a single-bond geometry to one Os(1), one Al(1), and one Al(2) atom. The Tl(1)-Al(1) bond length is 2.47 Å. The Tl(1)-Al(2) bond length is 2.75 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to one Tl(1) and two equivalent Al(2) atoms. There is one shorter (1.97 Å) and one longer (2.21 Å) Al(1)-Al(2) bond length. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to one Os(1), one Tl(1), two equivalent Al(1), and two equivalent Al(2) atoms. Both Al(2)-Al(2) bond lengths are 2.94 Å.