data_[Pu8P4H8]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3745]
_cell_length_b [6.4338]
_cell_length_c [6.7647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.9837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pu2PH2]
_chemical_formula_sum '[Pu8 P4 H8]'
_cell_volume [308.0019]
_cell_formula_units_Z [4]
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  8  0.1821  0.3102  0.2056  1
  P  P1  4  0.0000  0.0444  0.7500  1
  H  H2  8  0.1077  0.4020  0.4623  1
]