data_[K6Nd3Pu9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  Pu  1.2800  1.7500  0.9675
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1423]
_cell_length_b [8.1423]
_cell_length_c [15.8352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2NdPu3O12]
_chemical_formula_sum '[K6 Nd3 Pu9 O36]'
_cell_volume [909.1781]
_cell_formula_units_Z [3]
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
[
  K  K0  6  0.0000  0.0000  0.3881  1
  Nd  Nd1  3  0.0000  0.0000  0.0000  1
  Pu  Pu2  9  0.0000  0.5000  0.5000  1
  O  O3  18  0.0410  0.5205  0.3835  1
  O  O4  18  0.0998  0.5499  0.8022  1
]