data_AcTcIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcTcIr2
_chemical_formula_sum   'Ac1 Tc1 Ir2'
_cell_volume   77.59
_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  0.39  0.39  0.39  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.69  0.69  0.69  1.0
  Ir  Ir2  1  0.08  0.08  0.08  1.0

data_AcTcIr2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   11.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AcTcIr2
_chemical_formula_sum   'Ac3 Tc3 Ir6'
_cell_volume   232.76
_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  0.61  1.0
  Tc  Tc1  3  0.0  0.0  0.0  1.0
  Ir  Ir2  3  0.0  0.0  0.31  1.0
  Ir  Ir3  3  0.0  0.0  0.92  1.0

Ac Tc Ir Ir
AcTcIr2 crystallizes in the trigonal R3m space group. Ac(1) is bonded in a 11-coordinate geometry to three equivalent Tc(1), four equivalent Ir(1), and four equivalent Ir(2) atoms. All Ac(1)-Tc(1) bond lengths are 2.83 Å. There are three shorter (2.78 Å) and one longer (3.60 Å) Ac(1)-Ir(1) bond length. There are three shorter (2.78 Å) and one longer (3.60 Å) Ac(1)-Ir(2) bond length. Tc(1) is bonded in a single-bond geometry to three equivalent Ac(1), one Ir(2), and three equivalent Ir(1) atoms. The Tc(1)-Ir(2) bond length is 0.91 Å. All Tc(1)-Ir(1) bond lengths are 2.78 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 7-coordinate geometry to four equivalent Ac(1) and three equivalent Tc(1) atoms. In the second Ir site, Ir(2) is bonded in a single-bond geometry to four equivalent Ac(1) and one Tc(1) atom.