data_[Li6Ti4W2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2094]
_cell_length_b [9.0244]
_cell_length_c [5.2743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Ti2WN6]
_chemical_formula_sum '[Li6 Ti4 W2 N12]'
_cell_volume [234.1769]
_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
[
  Li  Li0  4  0.0000  0.1703  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Ti  Ti2  4  0.0000  0.3335  0.0000  1.0
  W  W3  2  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.2377  0.8354  0.2201  1.0
  N  N5  4  0.2439  0.5000  0.2200  1.0
]