data_[Pu2Be4Si3Pt1]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.8536]
_cell_length_b [3.8536]
_cell_length_c [9.7924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Pu2Be4Si3Pt]
_chemical_formula_sum '[Pu2 Be4 Si3 Pt1]'
_cell_volume [145.4167]
_cell_formula_units_Z [1]
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  0.5000  0.7587  1
  Be  Be1  2  0.0000  0.5000  0.3635  1
  Be  Be2  1  0.0000  0.0000  0.0000  1
  Be  Be3  1  0.5000  0.5000  0.0000  1
  Si  Si4  2  0.0000  0.5000  0.1306  1
  Si  Si5  1  0.0000  0.0000  0.5000  1
  Pt  Pt6  1  0.5000  0.5000  0.5000  1
]