data_[Li12Nb8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1984]
_cell_length_b [8.0267]
_cell_length_c [6.7965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li3(NbN2)2]
_chemical_formula_sum '[Li12 Nb8 N16]'
_cell_volume [446.8358]
_cell_formula_units_Z [4]
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  8  0.1165  0.0537  0.8887  1
  Li  Li1  4  0.0000  0.3135  0.7500  1
  Nb  Nb2  8  0.1308  0.3771  0.4169  1
  N  N3  8  0.1119  0.1640  0.5623  1
  N  N4  8  0.1353  0.4417  0.1181  1
]