data_[Pu4Cl6F4]
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 [12.5152]
_cell_length_b [3.9215]
_cell_length_c [6.8493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2Cl3F2]
_chemical_formula_sum '[Pu4 Cl6 F4]'
_cell_volume [328.8343]
_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  0.1773  0.0000  0.2056  1
  Cl  Cl1  4  0.1332  0.5000  0.4874  1
  Cl  Cl2  2  0.0000  0.5000  0.0000  1
  F  F3  4  0.2281  0.0000  0.8714  1
]