data_[Ce8Pu4Ta4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5127]
_cell_length_b [13.9516]
_cell_length_c [10.5090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2PuTaN5]
_chemical_formula_sum '[Ce8 Pu4 Ta4 N20]'
_cell_volume [515.0231]
_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
[
  Ce  Ce0  4  0.0000  0.1065  0.6897  1
  Ce  Ce1  4  0.0000  0.1443  0.2845  1
  Pu  Pu2  4  0.0000  0.2163  0.0037  1
  Ta  Ta3  4  0.0000  0.4788  0.4635  1
  N  N4  4  0.0000  0.0506  0.0509  1
  N  N5  4  0.0000  0.2755  0.6554  1
  N  N6  4  0.0000  0.3272  0.3761  1
  N  N7  4  0.0000  0.3817  0.0173  1
  N  N8  4  0.0000  0.4837  0.7830  1
]