data_[La3Pu3Ni6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pu  1.2800  1.7500  0.9675
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.5334]
_cell_length_b [5.5334]
_cell_length_c [14.6336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LaPu(NiO3)2]
_chemical_formula_sum '[La3 Pu3 Ni6 O18]'
_cell_volume [388.0289]
_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
[
  La  La0  3  0.0000  0.0000  0.2029  1
  Pu  Pu1  3  0.0000  0.0000  0.6830  1
  Ni  Ni2  3  0.0000  0.0000  0.4762  1
  Ni  Ni3  3  0.0000  0.0000  0.9887  1
  O  O4  9  0.0084  0.3626  0.7446  1
  O  O5  9  0.0219  0.6069  0.2510  1
]