data_[Nd2Pu1Pb1O8]
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
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9180]
_cell_length_b [5.5110]
_cell_length_c [8.0037]
_cell_angle_alpha [84.2566]
_cell_angle_beta [89.3367]
_cell_angle_gamma [85.0983]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd2PuPbO8]
_chemical_formula_sum '[Nd2 Pu1 Pb1 O8]'
_cell_volume [171.3193]
_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
[
  Nd  Nd0  2  0.4940  0.4846  0.2506  1
  Pu  Pu1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  1  0.0000  0.0000  0.5000  1
  O  O3  2  0.0305  0.2283  0.2581  1
  O  O4  2  0.0423  0.2397  0.8024  1
  O  O5  2  0.4490  0.7754  0.9817  1
  O  O6  2  0.4532  0.7540  0.4727  1
]