data_AcTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   54.92
_cell_angle_beta   54.92
_cell_angle_gamma   54.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcTiO3
_chemical_formula_sum   'Ac2 Ti2 O6'
_cell_volume   143.59
_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  0.77  1.0
  Ac  Ac1  1  0.0  0.0  0.8  1.0
  Ti  Ti8  1  0.0  0.0  0.11  1.0
  Ti  Ti9  1  0.0  0.0  0.46  1.0
  O  O2  1  0.93  0.01  0.94  1.0
  O  O3  1  0.25  0.07  0.94  1.0
  O  O4  1  0.81  0.92  0.94  1.0
  O  O5  1  0.19  0.08  0.63  1.0
  O  O6  1  0.75  0.93  0.63  1.0
  O  O7  1  0.07  0.99  0.63  1.0

data_AcTiO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   6.13
_cell_angle_alpha   62.54
_cell_angle_beta   62.54
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AcTiO3
_chemical_formula_sum   'Ac2 Ti2 O6'
_cell_volume   143.59
_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  0.02  0.48  1.0
  Ti  Ti1  2  0.0  0.32  0.18  1.0
  O  O2  2  0.01  0.15  0.4  1.0
  O  O3  2  0.07  0.15  0.02  1.0
  O  O4  2  0.08  0.85  0.38  1.0

Ac Ac Ti Ti O O O O O O