data_[Pu8Ni4F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3479]
_cell_length_b [8.8458]
_cell_length_c [9.5924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.6960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pu2NiF11]
_chemical_formula_sum '[Pu8 Ni4 F44]'
_cell_volume [858.7146]
_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  8  0.2407  0.8708  0.1989  1
  Ni  Ni1  4  0.0000  0.3406  0.7500  1
  F  F2  8  0.0667  0.0809  0.4497  1
  F  F3  8  0.0841  0.3397  0.0216  1
  F  F4  8  0.1263  0.4944  0.3176  1
  F  F5  8  0.1295  0.1913  0.7837  1
  F  F6  8  0.2362  0.1028  0.2658  1
  F  F7  4  0.2500  0.2500  0.5000  1
]