data_[Ac4Al8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [5.0577]
_cell_length_b [9.2888]
_cell_length_c [8.7746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [AcAl2O4]
_chemical_formula_sum '[Ac4 Al8 O16]'
_cell_volume [412.2337]
_cell_formula_units_Z [4]
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  4  0.0000  0.5000  0.2500  1
  Al  Al1  8  0.0030  0.2111  0.0000  1
  O  O2  8  0.1910  0.3815  0.5000  1
  O  O3  8  0.2500  0.2500  0.1464  1
]