data_[Ba4Nd8Pu4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  Pu  1.2800  1.7500  0.9675
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6945]
_cell_length_b [13.5832]
_cell_length_c [12.7284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaNd2PuN4]
_chemical_formula_sum '[Ba4 Nd8 Pu4 N16]'
_cell_volume [638.7553]
_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
[
  Ba  Ba0  4  0.0000  0.0300  0.7500  1
  Nd  Nd1  8  0.0000  0.3715  0.5335  1
  Pu  Pu2  4  0.0000  0.2288  0.2500  1
  N  N3  8  0.0000  0.2417  0.0969  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.3759  0.7500  1
]