data_[Pu4U8F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  U  1.3800  1.7500  0.9913
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.4964]
_cell_length_b [10.5937]
_cell_length_c [11.3455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [PuU2F11]
_chemical_formula_sum '[Pu4 U8 F44]'
_cell_volume [1021.1989]
_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
[
  Pu  Pu0  4  0.0000  0.5000  0.2500  1
  U  U1  8  0.1477  0.1820  0.5000  1
  F  F2  16  0.0936  0.3216  0.3615  1
  F  F3  16  0.2238  0.4266  0.1351  1
  F  F4  8  0.1283  0.7852  0.5000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]