data_[Pu4U8Be4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  U  1.3800  1.7500  0.9913
  Be  1.5700  1.0500  0.5900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4543]
_cell_length_b [11.0511]
_cell_length_c [11.1916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PuU2BeN4]
_chemical_formula_sum '[Pu4 U8 Be4 N16]'
_cell_volume [427.2301]
_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  4  0.0000  0.1000  0.7500  1
  U  U1  8  0.0000  0.3682  0.5562  1
  Be  Be2  4  0.0000  0.1799  0.2500  1
  N  N3  8  0.0000  0.2644  0.1266  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4242  0.7500  1
]