data_[Pu16Si8P24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.7885]
_cell_length_b [12.6365]
_cell_length_c [13.3786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pu2SiP3]
_chemical_formula_sum '[Pu16 Si8 P24]'
_cell_volume [975.2283]
_cell_formula_units_Z [8]
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  0.2237  0.2121  0.3418  1
  Pu  Pu1  8  0.2415  0.0959  0.9333  1
  Si  Si2  8  0.2117  0.4898  0.8534  1
  P  P3  8  0.2134  0.3076  0.8689  1
  P  P4  8  0.2452  0.1097  0.5230  1
  P  P5  4  0.0000  0.0308  0.2500  1
  P  P6  4  0.0000  0.4004  0.2500  1
]