O Ti 1.0000000000000000 5.3555186425749470 0.0780142425927363 -0.1004558492159920 -1.4771939439413364 9.1953471902152888 -0.3667134542079426 -2.3007247383293534 -0.5999993653026987 6.7746716624459600 O Ti 22 12 Selective dynamics Cartesian -0.3311337872259789 7.7849958981447038 4.1967208124075039 T T T 1.9087337475302288 0.8883661693606111 2.1107815466145299 T T T -0.4700207082461241 4.5815301967045858 2.8850023433382557 T T T 2.0476206685503722 4.0918318708007302 3.4225000156837715 T T T 1.3827732076184598 5.0273299405821747 0.9478392988761692 T T T 0.1948267526857829 3.6460321269231666 5.3596630601458619 T T T 4.0024506519637004 5.6868628642917036 0.3129532696314161 T T T -2.4248506916594583 2.9864992032136279 5.9945490893906088 T T T -1.8634580501654414 5.4853639787016064 5.2749424359741992 T T T 3.4410580104696868 3.1879980888037220 1.0325599230478295 T T T 0.7955948370500611 6.1681718966304340 4.6646128490449605 T T T 0.7820051232541837 2.5051901708749078 1.6428895099770644 T T T 3.2767519865560875 6.5216916530491140 2.5509085260895445 T T T -1.6991520262518454 2.1516704144562229 3.7565938329324831 T T T 0.9039832484793617 7.0236441980271351 1.7415870034594534 T T T 0.6736167118248826 1.6497178694781827 4.5659153555625682 T T T 1.9433873868472833 7.8066549563217436 0.2400977979866800 T T T -0.3657874265430407 0.8667071111835810 6.0674045610353531 T T T -0.8183791616129035 8.3599697980472687 -0.2163168592564865 T T T 2.3959791219171458 0.3133922694580676 6.5238192182785291 T T T 2.1426564871537277 8.5904364223389482 3.7051952041235698 T T T -0.5650565268494883 0.0829256451663778 2.6023071548984587 T T T 0.8928604929838642 7.8275787398762420 5.3320110530733142 T T T 0.6847394673203804 0.8457833276290758 0.9754913059487142 T T T 2.0291927358744761 8.1031572513524601 1.9311359352678064 T T T -0.4515927755702326 0.5702048161528626 4.3763664237542255 T T T 0.2752470633699056 6.6919385013994441 0.3024385147940539 T T T 1.3023528969343359 1.9814235661058830 6.0050638442279825 T T T -0.8955882199060258 6.2397892454068442 3.8348263031852019 T T T 2.4731881802102751 2.4335728220984785 2.4726760558368284 T T T 1.9628416866554279 4.5798009705966702 5.2829419312171844 T T T -0.3852417263511819 4.0935610969086627 1.0245604278048461 T T T 3.1727591564699518 4.7331976040357375 1.9564420796895037 T T T -1.5951591961657008 3.9401644634695958 4.3510602793325353 T T T