data_[Li16W4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [10.2025]
_cell_length_b [5.5654]
_cell_length_c [7.1319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Li4WN3]
_chemical_formula_sum '[Li16 W4 N12]'
_cell_volume [378.2687]
_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  0.1364  0.1416  0.9735  1
  Li  Li1  4  0.1998  0.2383  0.6684  1
  Li  Li2  4  0.2839  0.1750  0.3619  1
  Li  Li3  4  0.3828  0.3594  0.0648  1
  W  W4  4  0.0215  0.3837  0.2521  1
  N  N5  4  0.0539  0.0672  0.2065  1
  N  N6  4  0.1910  0.4655  0.8807  1
  N  N7  4  0.3409  0.0163  0.1421  1
]