data_AcTi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   128.75
_cell_angle_beta   128.75
_cell_angle_gamma   75.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcTi3
_chemical_formula_sum   'Ac1 Ti3'
_cell_volume   85.25
_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  0.0  0.0  0.15  1.0
  Ti  Ti1  1  0.27  0.0  0.07  1.0
  Ti  Ti2  1  0.0  0.27  0.07  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0

data_AcTi3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   127.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AcTi3
_chemical_formula_sum   'Ac2 Ti6'
_cell_volume   170.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.15  1.0
  Ti  Ti1  4  0.37  0.63  0.81  1.0
  Ti  Ti2  2  0.0  0.0  0.0  1.0

Ac Ti Ti Ti
Ac Ti Ti Ti 0 3 o o o 1 3 o o o 2 3 o o o 
AcTi3 is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two AcTi3 clusters. Ac(1) is bonded in a single-bond geometry to one Ti(2) atom. The Ac(1)-Ti(2) bond length is 0.77 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to one Ti(2) atom. The Ti(1)-Ti(2) bond length is 1.20 Å. In the second Ti site, Ti(2) is bonded in a distorted single-bond geometry to one Ac(1) and two equivalent Ti(1) atoms.