data_[Pu4Mg4P8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mg  1.3100  1.5000  0.8600
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8891]
_cell_length_b [9.1388]
_cell_length_c [5.1532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PuMg(PN3)2]
_chemical_formula_sum '[Pu4 Mg4 P8 N24]'
_cell_volume [449.2362]
_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  0.2931  0.7500  1
  Mg  Mg1  4  0.0000  0.0855  0.2500  1
  P  P2  8  0.2106  0.4159  0.2660  1
  N  N3  8  0.1200  0.2714  0.1252  1
  N  N4  8  0.1221  0.1030  0.6503  1
  N  N5  8  0.1508  0.4555  0.5309  1
]