data_[Li6Pu18F36]
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 [R-3]
_cell_length_a [8.6207]
_cell_length_b [8.6207]
_cell_length_c [14.1378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [LiPu3F6]
_chemical_formula_sum '[Li6 Pu18 F36]'
_cell_volume [909.9143]
_cell_formula_units_Z [6]
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  3  -0.0000  0.0000  0.5000  1
  Li  Li1  3  0.0000  0.0000  0.0000  1
  Pu  Pu2  18  0.0230  0.8549  0.7446  1
  F  F3  18  0.0450  0.8262  0.4119  1
  F  F4  18  0.0586  0.8358  0.9166  1
]