data_Ac2TlOs
_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   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac2TlOs
_chemical_formula_sum   'Ac2 Tl1 Os1'
_cell_volume   114.78
_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
  Ac  Ac0  1  0.79  0.79  0.79  1.0
  Ac  Ac1  1  0.93  0.93  0.93  1.0
  Tl  Tl3  1  0.86  0.86  0.86  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0

data_Ac2TlOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   13.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ac2TlOs
_chemical_formula_sum   'Ac6 Tl3 Os3'
_cell_volume   344.34
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ac  Ac0  3  0.0  0.0  0.07  1.0
  Ac  Ac1  3  0.0  0.0  0.21  1.0
  Tl  Tl2  3  0.0  0.0  0.14  1.0
  Os  Os3  3  0.0  0.0  0.0  1.0

Ac Ac Tl Os
Ac Ac Tl Os 0 2 o o o 1 2 o o o 1 3 + + + 
Ac2OsTl is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Ac2OsTl clusters. There are two inequivalent Ac sites. In the first Ac site, Ac(1) is bonded in a distorted single-bond geometry to one Tl(1) atom. The Ac(1)-Tl(1) bond length is 0.95 Å. In the second Ac site, Ac(2) is bonded in a linear geometry to one Os(1) and one Tl(1) atom. The Ac(2)-Os(1) bond length is 0.95 Å. The Ac(2)-Tl(1) bond length is 0.95 Å. Os(1) is bonded in a single-bond geometry to one Ac(2) atom. Tl(1) is bonded in a linear geometry to one Ac(1) and one Ac(2) atom.