data_[Cs2Pu8Ni6Se24]
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
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [10.2015]
_cell_length_b [10.2015]
_cell_length_c [10.2015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [CsPu4(NiSe4)3]
_chemical_formula_sum '[Cs2 Pu8 Ni6 Se24]'
_cell_volume [1061.6635]
_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  0.0000  0.0000  0.0000  1
  Pu  Pu1  8  0.2500  0.2500  0.2500  1
  Ni  Ni2  6  0.0000  0.0000  0.5000  1
  Se  Se3  24  0.0000  0.1599  0.3329  1
]