# generated using pymatgen data_Ti19N25 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.04732500 _cell_length_b 3.04732537 _cell_length_c 74.87311223 _cell_angle_alpha 59.41951096 _cell_angle_beta 59.41951351 _cell_angle_gamma 59.99999314 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti19N25 _chemical_formula_sum 'Ti19 N25' _cell_volume 487.28347643 _cell_formula_units_Z 1 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 0.01749600 0.01749600 0.03790100 1.0 Ti Ti1 1 0.98070600 0.98070600 0.08231500 1.0 Ti Ti2 1 0.99895200 0.99895200 0.16012600 1.0 Ti Ti3 1 0.00000000 0.00000000 0.24000000 1.0 Ti Ti4 1 0.00104800 0.00104800 0.31987400 1.0 Ti Ti5 1 0.01929400 0.01929400 0.39768500 1.0 Ti Ti6 1 0.98250400 0.98250400 0.44209900 1.0 Ti Ti7 1 0.04012200 0.04012200 0.51518500 1.0 Ti Ti8 1 0.00683300 0.00683300 0.55918000 1.0 Ti Ti9 1 0.00143100 0.00143100 0.59982800 1.0 Ti Ti10 1 0.00097500 0.00097500 0.63988300 1.0 Ti Ti11 1 0.00099700 0.00099700 0.67988000 1.0 Ti Ti12 1 0.99912900 0.99912900 0.72010400 1.0 Ti Ti13 1 0.00087100 0.00087100 0.75989600 1.0 Ti Ti14 1 0.99900300 0.99900300 0.80012000 1.0 Ti Ti15 1 0.99902500 0.99902500 0.84011700 1.0 Ti Ti16 1 0.99856900 0.99856900 0.88017200 1.0 Ti Ti17 1 0.99316700 0.99316700 0.92082000 1.0 Ti Ti18 1 0.95987800 0.95987800 0.96481500 1.0 N N19 1 0.46637700 0.46637700 0.02403500 1.0 N N20 1 0.49915200 0.49915200 0.06010200 1.0 N N21 1 0.53199800 0.53199800 0.09616000 1.0 N N22 1 0.46445500 0.46445500 0.14426500 1.0 N N23 1 0.53264200 0.53264200 0.17608300 1.0 N N24 1 0.46638300 0.46638300 0.22403400 1.0 N N25 1 0.53361700 0.53361700 0.25596600 1.0 N N26 1 0.46735800 0.46735800 0.30391700 1.0 N N27 1 0.53554500 0.53554500 0.33573500 1.0 N N28 1 0.46800200 0.46800200 0.38384000 1.0 N N29 1 0.50084800 0.50084800 0.41989800 1.0 N N30 1 0.53362300 0.53362300 0.45596500 1.0 N N31 1 0.47280100 0.47280100 0.50326400 1.0 N N32 1 0.49207200 0.49207200 0.54095100 1.0 N N33 1 0.50289100 0.50289100 0.57965300 1.0 N N34 1 0.50044600 0.50044600 0.61994600 1.0 N N35 1 0.50044700 0.50044700 0.65994600 1.0 N N36 1 0.50019900 0.50019900 0.69997600 1.0 N N37 1 0.50000000 0.50000000 0.74000000 1.0 N N38 1 0.49980100 0.49980100 0.78002400 1.0 N N39 1 0.49955300 0.49955300 0.82005400 1.0 N N40 1 0.49955400 0.49955400 0.86005400 1.0 N N41 1 0.49710900 0.49710900 0.90034700 1.0 N N42 1 0.50792800 0.50792800 0.93904900 1.0 N N43 1 0.52719900 0.52719900 0.97673600 1.0