data_[Pu2Si4]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.2107]
_cell_length_b [3.5910]
_cell_length_c [6.4276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PuSi2]
_chemical_formula_sum '[Pu2 Si4]'
_cell_volume [94.4374]
_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  2  0.0320  0.7500  0.1229  1
  Si  Si1  2  0.2243  0.2500  0.5028  1
  Si  Si2  2  0.4346  0.7500  0.7975  1
]