data_[Ac2Al8O14]
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 [Pmn2_1]
_cell_length_a [13.2346]
_cell_length_b [5.3226]
_cell_length_c [4.9550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [AcAl4O7]
_chemical_formula_sum '[Ac2 Al8 O14]'
_cell_volume [349.0380]
_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  2  0.0000  0.1691  0.2405  1
  Al  Al1  4  0.1201  0.6752  0.5891  1
  Al  Al2  4  0.2462  0.8257  0.0704  1
  O  O3  4  0.1295  0.7581  0.9273  1
  O  O4  4  0.1515  0.3688  0.4798  1
  O  O5  4  0.2118  0.8809  0.4185  1
  O  O6  2  0.0000  0.7363  0.4440  1
]