data_[Pu8Be4Pt8]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7953]
_cell_length_b [5.6194]
_cell_length_c [6.2251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pu2BePt2]
_chemical_formula_sum '[Pu8 Be4 Pt8]'
_cell_volume [337.7881]
_cell_formula_units_Z [4]
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  0.0838  0.4159  0.6379  1
  Be  Be1  4  0.0000  0.1149  0.2500  1
  Pt  Pt2  8  0.1598  0.0579  0.0166  1
]