data_[Ti4W4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Ama2]
_cell_length_a [4.1833]
_cell_length_b [12.9771]
_cell_length_c [4.1093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [TiWN3]
_chemical_formula_sum '[Ti4 W4 N12]'
_cell_volume [223.0831]
_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
[
  Ti  Ti0  4  0.2500  0.2381  0.9829  1.0
  W  W1  4  0.2500  0.4247  0.4129  1.0
  N  N2  4  0.2500  0.0827  0.9803  1.0
  N  N3  4  0.2500  0.2621  0.4820  1.0
  N  N4  4  0.2500  0.4058  0.9827  1.0
]