O Ti 1.0000000000000000 6.5663667477578622 1.3208168064511467 1.0045903557151925 0.0173493103827732 7.0742239533999633 -0.2920697993013527 -2.1823723688519920 -0.9093481963939980 5.8063074710888820 O Ti 22 12 Selective dynamics Cartesian -1.6557385337826278 4.6608564360227014 2.1622173707361911 T T T 6.0570822230712906 2.8248361274343998 4.3566106567665068 T T T -0.6810138469948149 3.8323012109240868 2.4199944464758429 T T T 5.0823575362834710 3.6533913525330202 4.0988335810268728 T T T 3.6770880758963882 4.7249368355058454 0.2552528179399184 T T T 0.7242556133922839 2.7607557279512895 6.2635752095627906 T T T 5.3609942690020933 5.2229190296921839 2.2079015172243297 T T T -0.9596505797134129 2.2627735337649546 4.3109265102783674 T T T -0.8532517982582856 3.3479926795906252 3.6178847193422365 T T T 5.2545954875469558 4.1376998838664854 2.9009433081604721 T T T 4.0171321948601211 5.9623403169489650 4.1106534393116743 T T T 0.3842114944285467 1.5233522465081517 2.4081745881910406 T T T 4.7060688482808706 4.8686355677858337 3.8149967179427748 T T T -0.3047251589922043 2.6170569956712817 2.7038313095599222 T T T 3.8525599785785127 6.7782798899452539 3.1040386046637916 T T T 0.5487837107101622 0.7074126735118748 3.4147894228389108 T T T 3.7315533237778507 6.0252395601836710 0.5301838426742823 T T T 0.6697903655108087 1.4604530032734477 5.9886441848284271 T T T 0.8907183779920805 5.4522066381106216 -2.3980175466902662 T T T 3.5106253112965886 2.0334859253465063 8.9168455741929957 T T T 4.8068743305575090 7.0097343823468758 3.9819296460592462 T T T -0.4055306412688475 0.4759581811102243 2.5368983814434549 T T T 2.1204691671112590 6.9418740881755765 4.6727666675760782 T T T 2.2808745221774021 0.5438184752815366 1.8460613599266140 T T T 5.3784336415110454 7.3485656468633680 1.5824949623242941 T T T -0.9770899522223759 0.1371269165937571 4.9363330651784141 T T T 1.6681354781676432 5.4371982930886515 -0.3519049737266370 T T T 2.7332082111210179 2.0484942703684657 6.8707330012293397 T T T 0.4803120694316753 5.5532488220532157 2.7778618276171350 T T T 3.9210316198569810 1.9324437414039153 3.7409661998855643 T T T 3.5411217311055041 4.3673506133032856 5.4888913389446143 T T T 0.8602219581831421 3.1183419501538063 1.0299366885580907 T T T 3.1727333173442291 4.7852032067649111 2.3883589578534483 T T T 1.2286103719444328 2.7004893566921977 4.1304690696492488 T T T