data_[Na4Li4Ti4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9082]
_cell_length_b [3.4201]
_cell_length_c [7.0849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaLiTiN2]
_chemical_formula_sum '[Na4 Li4 Ti4 N8]'
_cell_volume [260.8348]
_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
[
  Na  Na0  4  0.1638  0.5000  0.6382  1.0
  Li  Li1  4  0.1913  0.5000  0.0495  1.0
  Ti  Ti2  4  0.0541  0.0000  0.1887  1.0
  N  N3  4  0.1151  0.0000  0.9460  1.0
  N  N4  4  0.1168  0.5000  0.3000  1.0
]