data_[Na6Pu6Zn2Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pu  1.2800  1.7500  0.9675
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2709]
_cell_length_b [8.1838]
_cell_length_c [8.4466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Pu3ZnSe8]
_chemical_formula_sum '[Na6 Pu6 Zn2 Se16]'
_cell_volume [814.9068]
_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
[
  Na  Na0  4  0.2500  0.2500  0.0000  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Pu  Pu2  4  0.2500  0.2500  0.5000  1
  Pu  Pu3  2  0.0000  0.5000  0.5000  1
  Zn  Zn4  2  0.0000  0.0000  0.5000  1
  Se  Se5  8  0.0087  0.2386  0.2857  1
  Se  Se6  4  0.2432  0.0000  0.7234  1
  Se  Se7  4  0.2433  0.5000  0.7311  1
]