# generated using pymatgen data_Ti2N2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21096400 _cell_length_b 8.22237683 _cell_length_c 8.22249689 _cell_angle_alpha 109.60630720 _cell_angle_beta 109.41157774 _cell_angle_gamma 109.31778795 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2N2O _chemical_formula_sum 'Ti16 N16 O8' _cell_volume 427.74850680 _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 0.46428700 0.70654900 0.24664400 1.0 Ti Ti1 1 0.00912500 0.02045300 0.48958800 1.0 Ti Ti2 1 0.79294600 0.83618600 0.96193600 1.0 Ti Ti3 1 0.69756600 0.15406100 0.54114800 1.0 Ti Ti4 1 0.67174600 0.96108100 0.78504000 1.0 Ti Ti5 1 0.67896500 0.46299100 0.28879000 1.0 Ti Ti6 1 0.51050400 0.02028700 0.98737600 1.0 Ti Ti7 1 0.50546000 0.50257500 0.50352700 1.0 Ti Ti8 1 0.99708500 0.49476900 0.00384600 1.0 Ti Ti9 1 0.94414000 0.19798400 0.25515100 1.0 Ti Ti10 1 0.03735900 0.77734600 0.75975100 1.0 Ti Ti11 1 0.33541100 0.05134200 0.20590900 1.0 Ti Ti12 1 0.32710800 0.53786100 0.70684400 1.0 Ti Ti13 1 0.28306300 0.83221800 0.46134000 1.0 Ti Ti14 1 0.21925100 0.17430500 0.04215500 1.0 Ti Ti15 1 0.54757400 0.30009800 0.74684300 1.0 N N16 1 0.96481200 0.19069400 0.54245400 1.0 N N17 1 0.25239700 0.47612700 0.98572400 1.0 N N18 1 0.56055900 0.28517100 0.48813100 1.0 N N19 1 0.21545500 0.67521800 0.77605700 1.0 N N20 1 0.80963600 0.08299300 0.96459200 1.0 N N21 1 0.83047400 0.06613400 0.44620700 1.0 N N22 1 0.30812900 0.25461100 0.73334600 1.0 N N23 1 0.59431000 0.32885900 0.94678100 1.0 N N24 1 0.18363700 0.91113100 0.04155800 1.0 N N25 1 0.77933600 0.32097900 0.22650000 1.0 N N26 1 0.43674700 0.71116500 0.51144700 1.0 N N27 1 0.75172800 0.52582000 0.01166500 1.0 N N28 1 0.82278200 0.31090000 0.72621900 1.0 N N29 1 0.50691600 0.49624900 0.22723100 1.0 N N30 1 0.03099000 0.80429400 0.46084100 1.0 N N31 1 0.99632900 0.95412000 0.27593300 1.0 O O32 1 0.99473700 0.03787800 0.72860700 1.0 O O33 1 0.18075300 0.68930800 0.27567700 1.0 O O34 1 0.49066800 0.49892300 0.77364000 1.0 O O35 1 0.68863600 0.74442500 0.26609300 1.0 O O36 1 0.41318600 0.67640100 0.04844000 1.0 O O37 1 0.45152900 0.00272000 0.77103300 1.0 O O38 1 0.17063400 0.93407000 0.55278400 1.0 O O39 1 0.54403600 0.99170500 0.23314900 1.0