# generated using pymatgen data_Ti2N2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21563900 _cell_length_b 8.21920064 _cell_length_c 8.22800939 _cell_angle_alpha 109.59115730 _cell_angle_beta 109.43630530 _cell_angle_gamma 109.31135197 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2N2O _chemical_formula_sum 'Ti16 N16 O8' _cell_volume 428.09719792 _cell_formula_units_Z 8 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 0.70020500 0.16216500 0.04243300 1.0 Ti Ti1 1 0.98967800 0.98900300 0.00040500 1.0 Ti Ti2 1 0.48903600 0.99448600 0.49869600 1.0 Ti Ti3 1 0.51402100 0.50809200 0.98840000 1.0 Ti Ti4 1 0.05530300 0.80560100 0.24290900 1.0 Ti Ti5 1 0.45106200 0.70101800 0.75126200 1.0 Ti Ti6 1 0.32272400 0.02308400 0.71419900 1.0 Ti Ti7 1 0.34968500 0.56371800 0.20400600 1.0 Ti Ti8 1 0.19278600 0.15719200 0.54957300 1.0 Ti Ti9 1 0.78441100 0.82787400 0.46279800 1.0 Ti Ti10 1 0.67304600 0.46806700 0.78548100 1.0 Ti Ti11 1 0.67261900 0.95541700 0.29712100 1.0 Ti Ti12 1 0.99188000 0.48078800 0.51212100 1.0 Ti Ti13 1 0.54498800 0.29580900 0.24993500 1.0 Ti Ti14 1 0.96518500 0.21442700 0.74568300 1.0 Ti Ti15 1 0.29390700 0.83410600 0.95153200 1.0 N N16 1 0.21487500 0.67564800 0.27458100 1.0 N N17 1 0.99730300 0.03568300 0.22746900 1.0 N N18 1 0.49196400 0.50224300 0.27319800 1.0 N N19 1 0.17874300 0.68888700 0.77389300 1.0 N N20 1 0.51111400 0.50150800 0.72393800 1.0 N N21 1 0.24896600 0.47523000 0.48780000 1.0 N N22 1 0.55963800 0.28556300 0.99036000 1.0 N N23 1 0.82621800 0.31659900 0.22491900 1.0 N N24 1 0.03483900 0.80956800 0.95853200 1.0 N N25 1 0.99788400 0.95544700 0.77587100 1.0 N N26 1 0.40993800 0.67540100 0.55192500 1.0 N N27 1 0.68907100 0.74382700 0.76757000 1.0 N N28 1 0.54366800 0.99179000 0.73384400 1.0 N N29 1 0.82712300 0.06162000 0.95039100 1.0 N N30 1 0.18581700 0.91120800 0.54018500 1.0 N N31 1 0.77891500 0.31940100 0.72735900 1.0 O O32 1 0.81649400 0.08772000 0.45969100 1.0 O O33 1 0.16908400 0.93783400 0.05454500 1.0 O O34 1 0.46267300 0.01505600 0.26292000 1.0 O O35 1 0.29765000 0.25091600 0.23934500 1.0 O O36 1 0.59656000 0.32882500 0.44856500 1.0 O O37 1 0.96884500 0.19749800 0.03967600 1.0 O O38 1 0.76084100 0.53637200 0.50513900 1.0 O O39 1 0.44124400 0.71530800 0.01173100 1.0