data_[Na9Pu9Ta3N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [R-3m]
_cell_length_a [6.7370]
_cell_length_b [6.7370]
_cell_length_c [17.1045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na3Pu3TaN8]
_chemical_formula_sum '[Na9 Pu9 Ta3 N24]'
_cell_volume [672.3270]
_cell_formula_units_Z [3]
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
[
  Na  Na0  9  0.0000  0.5000  0.0000  1
  Pu  Pu1  9  0.0000  0.5000  0.5000  1
  Ta  Ta2  3  0.0000  0.0000  0.5000  1
  N  N3  18  0.0122  0.5061  0.2256  1
  N  N4  6  0.0000  0.0000  0.2286  1
]