data_[Ti16Si12W8N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Si  1.9000  1.1000  0.5400
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1174]
_cell_length_b [5.2774]
_cell_length_c [12.8767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti4Si3W2N3]
_chemical_formula_sum '[Ti16 Si12 W8 N12]'
_cell_volume [601.6795]
_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  8  0.1150  0.0876  0.0952  1
  Ti  Ti1  8  0.2199  0.0821  0.4046  1
  Si  Si2  8  0.1519  0.4315  0.2505  1
  Si  Si3  4  0.0000  0.1129  0.7500  1
  W  W4  8  0.0515  0.4184  0.9121  1
  N  N5  8  0.0891  0.2335  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]