data_[Pu16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9407]
_cell_length_b [4.5010]
_cell_length_c [10.8437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pu]
_chemical_formula_sum '[Pu16]'
_cell_volume [283.9481]
_cell_formula_units_Z [16]
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
[
  Pu  Pu0  2  0.0600  0.7500  0.8654  1
  Pu  Pu1  2  0.1504  0.2500  0.9651  1
  Pu  Pu2  2  0.1640  0.7500  0.3393  1
  Pu  Pu3  2  0.1978  0.7500  0.5715  1
  Pu  Pu4  2  0.2497  0.2500  0.6710  1
  Pu  Pu5  2  0.3651  0.2500  0.3903  1
  Pu  Pu6  2  0.3933  0.7500  0.1732  1
  Pu  Pu7  2  0.4819  0.7500  0.8820  1
]