data_[Pu2Np4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Np  1.3600  1.7500  1.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.7638]
_cell_length_b [4.0337]
_cell_length_c [7.7527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuNp2Cl8]
_chemical_formula_sum '[Pu2 Np4 Cl16]'
_cell_volume [675.0990]
_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
[
  Pu  Pu0  2  0.0000  0.5000  0.0000  1
  Np  Np1  4  0.1612  0.0000  0.3475  1
  Cl  Cl2  4  0.0177  0.0000  0.2464  1
  Cl  Cl3  4  0.1144  0.5000  0.5334  1
  Cl  Cl4  4  0.1295  0.5000  0.0675  1
  Cl  Cl5  4  0.2445  0.0000  0.6753  1
]