data_[Li4Pu8F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.9538]
_cell_length_b [9.6170]
_cell_length_c [10.7012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [LiPu2F11]
_chemical_formula_sum '[Li4 Pu8 F44]'
_cell_volume [921.4702]
_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
[
  Li  Li0  4  0.0000  0.5000  0.2500  1
  Pu  Pu1  8  0.1346  0.1982  0.0000  1
  F  F2  16  0.0676  0.3402  0.1350  1
  F  F3  16  0.2301  0.0840  0.1384  1
  F  F4  8  0.1535  0.2079  0.5000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]