data_[Na6Ti2Nb4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4225]
_cell_length_b [9.3911]
_cell_length_c [5.9424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ti(NbN3)2]
_chemical_formula_sum '[Na6 Ti2 Nb4 N12]'
_cell_volume [288.2955]
_cell_formula_units_Z [2]
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  4  0.0000  0.1653  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Ti  Ti2  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb3  4  0.0000  0.3333  0.0000  1.0
  N  N4  8  0.2298  0.1652  0.1940  1.0
  N  N5  4  0.2342  0.5000  0.1937  1.0
]