data_[Ba8Ac2Ti6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.4483]
_cell_length_b [8.4483]
_cell_length_c [8.4483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Ba4AcTi3O12]
_chemical_formula_sum '[Ba8 Ac2 Ti6 O24]'
_cell_volume [602.9963]
_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
[
  Ba  Ba0  8  0.2500  0.2500  0.2500  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Ti  Ti2  6  0.0000  0.0000  0.5000  1
  O  O3  12  0.0000  0.0000  0.2775  1
  O  O4  12  0.0000  0.2500  0.5000  1
]