data_[Cs4Pu2Se2S4]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4793]
_cell_length_b [8.5733]
_cell_length_c [9.2388]
_cell_angle_alpha [73.8006]
_cell_angle_beta [70.4987]
_cell_angle_gamma [66.9925]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2PuSeS2]
_chemical_formula_sum '[Cs4 Pu2 Se2 S4]'
_cell_volume [506.4149]
_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  0.0838  0.1958  0.1477  1
  Cs  Cs1  2  0.3521  0.5455  0.2949  1
  Pu  Pu2  2  0.3554  0.0630  0.6933  1
  Se  Se3  2  0.1617  0.3932  0.7244  1
  S  S4  2  0.2882  0.9549  0.4852  1
  S  S5  2  0.3793  0.8214  0.9211  1
]