# generated using pymatgen
data_TiN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.00740502
_cell_length_b   3.00740548
_cell_length_c   75.09409944
_cell_angle_alpha   60.00802454
_cell_angle_beta   60.00801929
_cell_angle_gamma   60.09283140
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiN
_chemical_formula_sum   'Ti22 N22'
_cell_volume   480.65250374
_cell_formula_units_Z   22
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  1  0.99013200  0.99013200  0.12118800  1.0
  Ti  Ti1  1  0.00496300  0.00496300  0.15940400  1.0
  Ti  Ti2  1  0.99752300  0.99752300  0.20028800  1.0
  Ti  Ti3  1  0.00144400  0.00144400  0.23980900  1.0
  Ti  Ti4  1  0.99912100  0.99912100  0.28012700  1.0
  Ti  Ti5  1  0.00037400  0.00037400  0.31992500  1.0
  Ti  Ti6  1  0.00059300  0.00059300  0.39994400  1.0
  Ti  Ti7  1  0.99948700  0.99948700  0.36005500  1.0
  Ti  Ti8  1  0.99950300  0.99950300  0.44003900  1.0
  Ti  Ti9  1  0.00031800  0.00031800  0.47997100  1.0
  Ti  Ti10  1  0.99994500  0.99994500  0.56000300  1.0
  Ti  Ti11  1  0.99983400  0.99983400  0.52001500  1.0
  Ti  Ti12  1  0.00011700  0.00011700  0.59999500  1.0
  Ti  Ti13  1  0.99963200  0.99963200  0.64003000  1.0
  Ti  Ti14  1  0.00075200  0.00075200  0.67994100  1.0
  Ti  Ti15  1  0.99887700  0.99887700  0.72007600  1.0
  Ti  Ti16  1  0.99907800  0.99907800  0.80008500  1.0
  Ti  Ti17  1  0.00125900  0.00125900  0.75991800  1.0
  Ti  Ti18  1  0.99992200  0.99992200  0.88005900  1.0
  Ti  Ti19  1  0.99997500  0.99997500  0.83997700  1.0
  Ti  Ti20  1  0.96656100  0.96656100  0.96403100  1.0
  Ti  Ti21  1  0.99709200  0.99709200  0.92033000  1.0
  N  N22  1  0.50693800  0.50693800  0.13917600  1.0
  N  N23  1  0.50107200  0.50107200  0.17987100  1.0
  N  N24  1  0.50107200  0.50107200  0.21987900  1.0
  N  N25  1  0.49947200  0.49947200  0.26006200  1.0
  N  N26  1  0.50013100  0.50013100  0.29998200  1.0
  N  N27  1  0.50022700  0.50022700  0.33999700  1.0
  N  N28  1  0.49985500  0.49985500  0.38000700  1.0
  N  N29  1  0.50021900  0.50021900  0.41999000  1.0
  N  N30  1  0.49985800  0.49985800  0.46000800  1.0
  N  N31  1  0.50012900  0.50012900  0.49999400  1.0
  N  N32  1  0.49989600  0.49989600  0.54000500  1.0
  N  N33  1  0.50008600  0.50008600  0.57999700  1.0
  N  N34  1  0.49996700  0.49996700  0.61999900  1.0
  N  N35  1  0.49999400  0.49999400  0.66000300  1.0
  N  N36  1  0.50002100  0.50002100  0.69999700  1.0
  N  N37  1  0.50006200  0.50006200  0.73999600  1.0
  N  N38  1  0.49966200  0.49966200  0.78000500  1.0
  N  N39  1  0.50019700  0.50019700  0.82000900  1.0
  N  N40  1  0.50067000  0.50067000  0.85991700  1.0
  N  N41  1  0.49907100  0.49907100  0.90009600  1.0
  N  N42  1  0.50854800  0.50854800  0.93897100  1.0
  N  N43  1  0.52635200  0.52635200  0.97682500  1.0