data_Ac2Ti3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49
_cell_length_b   7.49
_cell_length_c   7.49
_cell_angle_alpha   58.99
_cell_angle_beta   58.99
_cell_angle_gamma   58.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac2Ti3
_chemical_formula_sum   'Ac4 Ti6'
_cell_volume   290.71
_cell_formula_units_Z   2
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  0.56  1.0
  Ac  Ac1  1  0.0  0.0  0.69  1.0
  Ac  Ac2  1  0.0  0.0  0.8  1.0
  Ac  Ac3  1  0.0  0.0  0.94  1.0
  Ti  Ti4  1  0.72  0.75  0.87  1.0
  Ti  Ti5  1  0.72  0.25  0.87  1.0
  Ti  Ti6  1  0.56  0.0  0.87  1.0
  Ti  Ti7  1  0.44  0.0  0.62  1.0
  Ti  Ti8  1  0.28  0.75  0.62  1.0
  Ti  Ti9  1  0.28  0.25  0.62  1.0

data_Ac2Ti3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.38
_cell_length_b   7.38
_cell_length_c   7.49
_cell_angle_alpha   60.51
_cell_angle_beta   60.51
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ac2Ti3
_chemical_formula_sum   'Ac4 Ti6'
_cell_volume   290.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.06  0.44  1.0
  Ac  Ac1  2  0.0  0.19  0.31  1.0
  Ti  Ti2  2  0.0  0.12  0.82  1.0
  Ti  Ti3  2  0.25  0.12  0.4  1.0
  Ti  Ti4  2  0.25  0.88  0.1  1.0

Ac Ac Ac Ac Ti Ti Ti Ti Ti Ti
Ac Ac Ac Ac Ti Ti Ti Ti Ti Ti 0 1 o o o 0 8 o - o 1 2 o o o 1 5 - o o 1 8 o - o 2 3 o o o 2 5 - o o 2 8 o - o 3 5 - o o 4 6 o + o 7 9 o o o 