data_[Li4Nb4N8]
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 [Pnma]
_cell_length_a [6.1716]
_cell_length_b [4.2488]
_cell_length_c [7.4135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiNbN2]
_chemical_formula_sum '[Li4 Nb4 N8]'
_cell_volume [194.3971]
_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  4  0.0761  0.7500  0.8934  1.0
  Nb  Nb1  4  0.0799  0.7500  0.3657  1.0
  N  N2  4  0.0808  0.2500  0.3970  1.0
  N  N3  4  0.0922  0.2500  0.8536  1.0
]