data_[Pu2Pa4P4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0467]
_cell_length_b [3.8507]
_cell_length_c [6.7132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuPa2(PN)2]
_chemical_formula_sum '[Pu2 Pa4 P4 N4]'
_cell_volume [264.3083]
_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  0.0000  1
  Pa  Pa1  4  0.1901  0.0000  0.7316  1
  P  P2  4  0.0692  0.5000  0.3439  1
  N  N3  4  0.2138  0.0000  0.0938  1
]