data_[Pu2Be2Si6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1909]
_cell_length_b [4.1909]
_cell_length_c [8.8708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [PuBeSi3]
_chemical_formula_sum '[Pu2 Be2 Si6]'
_cell_volume [155.8003]
_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  0.0000  0.0000  0.8866  1
  Be  Be1  2  0.0000  0.0000  0.5274  1
  Si  Si2  4  0.0000  0.5000  0.1362  1
  Si  Si3  2  0.0000  0.0000  0.2774  1
]