data_[Cs6Pu2Np4Se12]
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
  Np  1.3600  1.7500  1.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4895]
_cell_length_b [12.9719]
_cell_length_c [8.7221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Pu(NpSe3)2]
_chemical_formula_sum '[Cs6 Pu2 Np4 Se12]'
_cell_volume [811.9292]
_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  0.0000  0.1653  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  Pu  Pu2  2  0.0000  0.0000  0.0000  1
  Np  Np3  4  0.0000  0.3332  0.0000  1
  Se  Se4  8  0.2301  0.1685  0.1847  1
  Se  Se5  4  0.2243  0.5000  0.1841  1
]