data_[Ac4Pu8O44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pu  1.2800  1.7500  0.9675
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [11.1823]
_cell_length_b [10.5644]
_cell_length_c [8.4966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [AcPu2O11]
_chemical_formula_sum '[Ac4 Pu8 O44]'
_cell_volume [1003.7307]
_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  0.0000  0.2676  1
  Pu  Pu1  4  0.2500  0.2400  0.5285  1
  Pu  Pu2  4  0.2500  0.7202  0.4782  1
  O  O3  8  0.1310  0.1432  0.0889  1
  O  O4  8  0.1316  0.6849  0.8798  1
  O  O5  8  0.1319  0.6238  0.5716  1
  O  O6  8  0.1321  0.1200  0.4664  1
  O  O7  4  0.2500  0.1884  0.7819  1
  O  O8  4  0.2500  0.5403  0.2854  1
  O  O9  4  0.2500  0.5798  0.1452  1
]