data_[Li3Pu3Nb12N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.3977]
_cell_length_b [6.3977]
_cell_length_c [15.2703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiPu(NbN2)4]
_chemical_formula_sum '[Li3 Pu3 Nb12 N24]'
_cell_volume [541.2831]
_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
[
  Li  Li0  3  0.0000  0.0000  0.9986  1
  Pu  Pu1  3  0.0000  0.0000  0.3921  1
  Nb  Nb2  9  0.1725  0.3450  0.8313  1
  Nb  Nb3  3  0.0000  0.0000  0.6230  1
  N  N4  9  0.0094  0.5047  0.2382  1
  N  N5  9  0.0470  0.5235  0.7586  1
  N  N6  3  0.0000  0.0000  0.2436  1
  N  N7  3  0.0000  0.0000  0.7583  1
]