# generated using pymatgen data_Ti2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.57792820 _cell_length_b 11.24584395 _cell_length_c 11.55527247 _cell_angle_alpha 90.53665143 _cell_angle_beta 88.78726336 _cell_angle_gamma 88.10235359 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2O _chemical_formula_sum 'Ti68 O34' _cell_volume 1373.45768116 _cell_formula_units_Z 34 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 0.25327323 0.77362560 0.23986448 1.0 Ti Ti1 1 0.73169893 0.11214452 0.81361294 1.0 Ti Ti2 1 0.96957815 0.66684033 0.36002663 1.0 Ti Ti3 1 0.69499381 0.38581901 0.78009228 1.0 Ti Ti4 1 0.94341309 0.23545512 0.88843486 1.0 Ti Ti5 1 0.70329145 0.91499405 0.04167038 1.0 Ti Ti6 1 0.06872063 0.92736266 0.34487175 1.0 Ti Ti7 1 0.04560041 0.22489606 0.08610077 1.0 Ti Ti8 1 0.28730198 0.86109341 0.49087719 1.0 Ti Ti9 1 0.49045090 0.00562734 0.89029690 1.0 Ti Ti10 1 0.71242411 0.61298398 0.39644268 1.0 Ti Ti11 1 0.55163501 0.82091574 0.23459332 1.0 Ti Ti12 1 0.43780210 0.30437770 0.20839373 1.0 Ti Ti13 1 0.80031820 0.83951784 0.32657151 1.0 Ti Ti14 1 0.30395343 0.38577200 0.51293651 1.0 Ti Ti15 1 0.02092242 0.89539879 0.55989512 1.0 Ti Ti16 1 0.65935209 0.41434936 0.20418635 1.0 Ti Ti17 1 0.13453425 0.99327799 0.13788100 1.0 Ti Ti18 1 0.85067471 0.65566978 0.89578613 1.0 Ti Ti19 1 0.01340245 0.15760363 0.47501477 1.0 Ti Ti20 1 0.96005630 0.97018641 0.95870599 1.0 Ti Ti21 1 0.19490218 0.79425836 0.97092840 1.0 Ti Ti22 1 0.86625692 0.02321441 0.20039167 1.0 Ti Ti23 1 0.03787669 0.56198554 0.00844250 1.0 Ti Ti24 1 0.92504089 0.29396339 0.66693587 1.0 Ti Ti25 1 0.53939605 0.25668619 0.95707293 1.0 Ti Ti26 1 0.33753711 0.00516645 0.29349171 1.0 Ti Ti27 1 0.78023494 0.07187571 0.56212191 1.0 Ti Ti28 1 0.90484166 0.25120802 0.28413392 1.0 Ti Ti29 1 0.30263330 0.66183458 0.64730279 1.0 Ti Ti30 1 0.82376480 0.41442506 0.99808995 1.0 Ti Ti31 1 0.23887529 0.10237680 0.57504729 1.0 Ti Ti32 1 0.55479905 0.25756868 0.60835719 1.0 Ti Ti33 1 0.25763004 0.91935357 0.72787192 1.0 Ti Ti34 1 0.14106791 0.47718414 0.76629923 1.0 Ti Ti35 1 0.78278704 0.36535048 0.49160097 1.0 Ti Ti36 1 0.88737216 0.46723369 0.26189936 1.0 Ti Ti37 1 0.24605690 0.36802121 0.99679176 1.0 Ti Ti38 1 0.52291299 0.95675158 0.65072926 1.0 Ti Ti39 1 0.65646381 0.20035933 0.35236184 1.0 Ti Ti40 1 0.15555127 0.52946227 0.20773581 1.0 Ti Ti41 1 0.42460445 0.17463290 0.42699212 1.0 Ti Ti42 1 0.54634936 0.43200775 0.42857527 1.0 Ti Ti43 1 0.07046652 0.74904131 0.76655647 1.0 Ti Ti44 1 0.42604845 0.47103044 0.79538453 1.0 Ti Ti45 1 -0.00103430 0.78833679 0.14770388 1.0 Ti Ti46 1 0.54111200 0.70965050 0.02111694 1.0 Ti Ti47 1 0.55569961 0.07343448 0.16614338 1.0 Ti Ti48 1 0.01985242 0.07982550 0.71231670 1.0 Ti Ti49 1 0.76827368 0.18233167 0.06984940 1.0 Ti Ti50 1 0.19412735 0.05812997 0.92197530 1.0 Ti Ti51 1 0.62724242 0.56828365 0.62439555 1.0 Ti Ti52 1 0.21668422 0.61191390 0.41745654 1.0 Ti Ti53 1 0.47727284 0.47402586 0.03508582 1.0 Ti Ti54 1 0.84601148 0.91207020 0.73923709 1.0 Ti Ti55 1 0.47862657 0.69719532 0.45650889 1.0 Ti Ti56 1 0.03545292 0.42288846 0.46070529 1.0 Ti Ti57 1 0.35944178 0.20371978 0.78397244 1.0 Ti Ti58 1 0.17947149 0.23214251 0.29001514 1.0 Ti Ti59 1 0.65138382 0.80256041 0.80291832 1.0 Ti Ti60 1 0.44438179 0.57695450 0.24456540 1.0 Ti Ti61 1 0.56432148 0.95790152 0.41365411 1.0 Ti Ti62 1 0.90954672 0.58412090 0.62768585 1.0 Ti Ti63 1 0.41403783 0.75242749 0.83184019 1.0 Ti Ti64 1 0.74792132 0.78877203 0.56021897 1.0 Ti Ti65 1 0.32234090 0.15223325 0.07978445 1.0 Ti Ti66 1 0.77759228 0.64739527 0.14359944 1.0 Ti Ti67 1 0.38014515 0.90212577 0.06518128 1.0 O O68 1 0.16354172 0.67936376 0.09529040 1.0 O O69 1 0.32341208 0.46424189 0.13979533 1.0 O O70 1 0.73774555 0.66996086 0.70886245 1.0 O O71 1 0.68422603 0.94856579 0.23898052 1.0 O O72 1 0.51694892 0.30668566 0.77990827 1.0 O O73 1 0.45827742 0.59446026 0.91135694 1.0 O O74 1 0.04979986 0.60446701 0.50180146 1.0 O O75 1 0.41445183 0.73372310 0.15108105 1.0 O O76 1 0.36212168 0.23268115 0.59763789 1.0 O O77 1 0.17738151 0.79697790 0.62248156 1.0 O O78 1 0.60839894 0.56468302 0.11627834 1.0 O O79 1 0.02777104 0.43308559 0.63840665 1.0 O O80 1 0.20003359 0.10082813 0.40597006 1.0 O O81 1 0.28678780 0.49136020 0.65508107 1.0 O O82 1 0.32149086 0.91323839 0.89348856 1.0 O O83 1 0.20670074 0.10175594 0.75092366 1.0 O O84 1 0.63017183 0.08368907 0.98736246 1.0 O O85 1 0.01857483 0.38061423 0.97398648 1.0 O O86 1 0.92450343 0.76851378 0.63803596 1.0 O O87 1 0.74388980 0.26904108 0.91136793 1.0 O O88 1 0.74002234 0.24168329 0.65858533 1.0 O O89 1 0.00177420 0.58486083 0.81711146 1.0 O O90 1 0.26310572 0.35770181 0.82690928 1.0 O O91 1 0.71043483 0.74874010 0.96733219 1.0 O O92 1 0.82718808 0.18486321 0.42906447 1.0 O O93 1 0.41748534 0.84974215 0.36193718 1.0 O O94 1 0.05692882 0.36199378 0.23401272 1.0 O O95 1 0.38584610 0.53120714 0.41777490 1.0 O O96 1 0.02782924 0.10726270 0.24643379 1.0 O O97 1 0.92406302 0.81955596 0.86544166 1.0 O O98 1 0.97196564 0.60545397 0.18476796 1.0 O O99 1 0.32993169 0.31259812 0.35461769 1.0 O O100 1 0.75385397 0.51290949 0.87432148 1.0 O O101 1 0.58832536 0.10635773 0.50907549 1.0