data_[Nd4Pu4Cl4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pu  1.2800  1.7500  0.9675
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3709]
_cell_length_b [7.1905]
_cell_length_c [6.6867]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdPuClO4]
_chemical_formula_sum '[Nd4 Pu4 Cl4 O16]'
_cell_volume [554.1886]
_cell_formula_units_Z [4]
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
[
  Nd  Nd0  4  0.2071  0.0000  0.0737  1
  Pu  Pu1  4  0.1279  0.5000  0.2281  1
  Cl  Cl2  4  0.0286  0.0000  0.2566  1
  O  O3  8  0.2420  0.3091  0.1943  1
  O  O4  4  0.0767  0.5000  0.9137  1
  O  O5  4  0.1701  0.5000  0.5237  1
]