data_[Nd8Pu4W4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pu  1.2800  1.7500  0.9675
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5096]
_cell_length_b [13.9098]
_cell_length_c [10.6673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2PuWN5]
_chemical_formula_sum '[Nd8 Pu4 W4 N20]'
_cell_volume [520.7458]
_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
[
  Nd  Nd0  4  0.0000  0.1072  0.6912  1
  Nd  Nd1  4  0.0000  0.1491  0.2991  1
  Pu  Pu2  4  0.0000  0.2108  0.0125  1
  W  W3  4  0.0000  0.4821  0.4558  1
  N  N4  4  0.0000  0.0424  0.0368  1
  N  N5  4  0.0000  0.2798  0.6551  1
  N  N6  4  0.0000  0.3257  0.3842  1
  N  N7  4  0.0000  0.3789  0.0045  1
  N  N8  4  0.0000  0.4880  0.7847  1
]