data_[Pu10P10O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6696]
_cell_length_b [4.0856]
_cell_length_c [9.8258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu5P5O2]
_chemical_formula_sum '[Pu10 P10 O4]'
_cell_volume [474.3000]
_cell_formula_units_Z [2]
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  4  0.1261  0.5000  0.3339  1
  Pu  Pu1  4  0.1353  0.0000  0.7730  1
  Pu  Pu2  2  0.0000  0.0000  0.0000  1
  P  P3  4  0.1322  0.5000  0.9886  1
  P  P4  4  0.2126  0.5000  0.6550  1
  P  P5  2  0.0000  0.5000  0.5000  1
  O  O6  4  0.0428  0.0000  0.2565  1
]