data_[Nd6Pu2Cl4O12]
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 [12.4432]
_cell_length_b [6.9627]
_cell_length_c [5.5485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Pu(ClO3)2]
_chemical_formula_sum '[Nd6 Pu2 Cl4 O12]'
_cell_volume [472.5838]
_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
[
  Nd  Nd0  4  0.2500  0.2500  0.5000  1
  Nd  Nd1  2  0.0000  0.5000  0.0000  1
  Pu  Pu2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  4  0.2028  0.5000  0.8566  1
  O  O4  8  0.0646  0.2449  0.2967  1
  O  O5  4  0.1653  0.0000  0.6637  1
]