data_[Na1Nb6N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [8.3815]
_cell_length_b [8.3815]
_cell_length_c [3.1248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Na(Nb3N4)2]
_chemical_formula_sum '[Na1 Nb6 N8]'
_cell_volume [190.1061]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Nb  Nb1  6  0.1375  0.6692  0.7507  1
  N  N2  6  0.0443  0.3595  0.7486  1
  N  N3  2  0.3333  0.6667  0.2507  1
]