data_[Pu14Si4]
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 [C2/m]
_cell_length_a [9.0608]
_cell_length_b [4.3893]
_cell_length_c [8.4809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu7Si2]
_chemical_formula_sum '[Pu14 Si4]'
_cell_volume [335.8512]
_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  0.0585  0.0000  0.6310  1
  Pu  Pu1  4  0.1802  0.5000  0.6029  1
  Pu  Pu2  4  0.1843  0.5000  0.8916  1
  Pu  Pu3  2  0.0000  0.0000  0.0000  1
  Si  Si4  4  0.1254  0.5000  0.2396  1
]