data_[La2Pr1Pu1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Pu  1.2800  1.7500  0.9675
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.1532]
_cell_length_b [7.6434]
_cell_length_c [5.6507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La2PrPuO8]
_chemical_formula_sum '[La2 Pr1 Pu1 O8]'
_cell_volume [178.3059]
_cell_formula_units_Z [1]
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  2  0.5000  0.2543  0.5000  1
  Pr  Pr1  1  0.0000  0.5000  0.0000  1
  Pu  Pu2  1  0.0000  0.0000  0.0000  1
  O  O3  4  0.0508  0.2141  0.7719  1
  O  O4  2  0.4137  0.0000  0.2072  1
  O  O5  2  0.4979  0.5000  0.2548  1
]