data_AcTcOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcTcOs2
_chemical_formula_sum   'Ac1 Tc1 Os2'
_cell_volume   75.09
_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  0.35  0.35  0.35  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.02  0.02  0.02  1.0
  Os  Os2  1  0.67  0.67  0.67  1.0

data_AcTcOs2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   11.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AcTcOs2
_chemical_formula_sum   'Ac3 Tc3 Os6'
_cell_volume   225.26
_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  0.65  1.0
  Tc  Tc1  3  0.0  0.0  0.0  1.0
  Os  Os2  3  0.0  0.0  0.33  1.0
  Os  Os3  3  0.0  0.0  0.98  1.0

Ac Tc Os Os
Ac Tc Os Os 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o o + 0 1 o + o 0 1 + o o 0 3 - o o 0 3 o - o 0 3 o o - 1 2 o o o 1 3 o - - 1 3 - o - 1 3 - - o 2 3 o - - 2 3 - o - 2 3 - - o 
AcTcOs2 crystallizes in the trigonal R3m space group. Ac(1) is bonded in a 11-coordinate geometry to three equivalent Tc(1), four equivalent Os(1), and four equivalent Os(2) atoms. All Ac(1)-Tc(1) bond lengths are 2.74 Å. There are three shorter (2.74 Å) and one longer (3.78 Å) Ac(1)-Os(1) bond length. There are three shorter (2.74 Å) and one longer (3.78 Å) Ac(1)-Os(2) bond length. Tc(1) is bonded in a single-bond geometry to three equivalent Ac(1) and one Os(1) atom. The Tc(1)-Os(1) bond length is 0.26 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a single-bond geometry to four equivalent Ac(1) and one Tc(1) atom. In the second Os site, Os(2) is bonded in a 3-coordinate geometry to four equivalent Ac(1) atoms.