data_[Na2Hf4Nb6N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  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 [13.9229]
_cell_length_b [3.1759]
_cell_length_c [6.3448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaHf2(NbN2)3]
_chemical_formula_sum '[Na2 Hf4 Nb6 N12]'
_cell_volume [271.0642]
_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  2  0.0000  0.5000  0.0000  1.0
  Hf  Hf1  4  0.1601  0.0000  0.3221  1.0
  Nb  Nb2  4  0.1551  0.0000  0.8132  1.0
  Nb  Nb3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0023  0.0000  0.2585  1.0
  N  N5  4  0.1698  0.5000  0.5749  1.0
  N  N6  4  0.1731  0.5000  0.0826  1.0
]