data_[Cs6Pu2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pu  1.2800  1.7500  0.9675
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2772]
_cell_length_b [7.0870]
_cell_length_c [7.2154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3PuF6]
_chemical_formula_sum '[Cs6 Pu2 F12]'
_cell_volume [518.9366]
_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
[
  Cs  Cs0  4  0.2472  0.0000  0.7275  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  Pu  Pu2  2  0.0000  0.5000  0.5000  1
  F  F3  8  0.0678  0.2758  0.3542  1
  F  F4  4  0.2096  0.5000  0.8207  1
]