data_[Cs2Na2Pu2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Pu  1.2800  1.7500  0.9675
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2574]
_cell_length_b [4.2251]
_cell_length_c [9.9547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNaPuS3]
_chemical_formula_sum '[Cs2 Na2 Pu2 S6]'
_cell_volume [368.2230]
_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  2  0.2379  0.7500  0.2647  1
  Na  Na1  2  0.0682  0.7500  0.6061  1
  Pu  Pu2  2  0.3285  0.2500  0.8580  1
  S  S3  2  0.1542  0.7500  0.8871  1
  S  S4  2  0.2325  0.2500  0.5766  1
  S  S5  2  0.4794  0.2500  0.1396  1
]