data_[Pu4Cl16F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6708]
_cell_length_b [8.2764]
_cell_length_c [8.2186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2Cl8F]
_chemical_formula_sum '[Pu4 Cl16 F2]'
_cell_volume [822.8617]
_cell_formula_units_Z [2]
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  0.1792  0.0000  0.0011  1
  Cl  Cl1  8  0.1348  0.3139  0.0005  1
  Cl  Cl2  4  0.1195  0.0000  0.6868  1
  Cl  Cl3  4  0.2412  0.0000  0.3156  1
  F  F4  2  0.0000  0.0000  0.0000  1
]