No title 1.0 7.76984869 0.00000000 0.00000000 0.13032753 24.44030431 0.00000000 0.04503821 -0.11094984 10.84033246 Si O Cl H F 40 16 4 13 2 Selective dynamics Direct 0.01599085 0.46741056 0.07758068 T T T # 1 Si1 0.99988870 0.54721729 0.44174501 T T T # 2 Si2 0.26670258 0.46715598 0.19809982 T T T # 3 Si3 0.25019976 0.54941352 0.31775843 T T T # 4 Si4 0.00025855 0.23798173 0.43213484 F F F # 5 Si5 0.25025855 0.23798173 0.31714944 F F F # 6 Si6 0.00025855 0.31089909 0.06275198 F F F # 7 Si7 0.25025855 0.31089909 0.18653230 F F F # 8 Si8 0.00025855 0.38740322 0.43636443 F F F # 9 Si9 0.25025855 0.38740322 0.31291985 F F F # 10 Si10 0.00425261 0.46725817 0.56098650 T T T # 11 Si11 0.00653416 0.54990004 0.95630528 T T T # 12 Si12 0.25022761 0.47147234 0.69418924 T T T # 13 Si13 0.24434282 0.55333052 0.82508766 T T T # 14 Si14 0.25025855 0.23798173 0.81714944 F F F # 15 Si15 0.00025855 0.31089909 0.56275198 F F F # 16 Si16 0.25025855 0.31089909 0.68653230 F F F # 17 Si17 0.00025855 0.38740322 0.93636443 F F F # 18 Si18 0.25025855 0.38740322 0.81291985 F F F # 19 Si19 0.50926053 0.46828203 0.06259829 T T T # 20 Si20 0.50257759 0.55723715 0.44031306 T T T # 21 Si21 0.75277291 0.46698078 0.19673173 T T T # 22 Si22 0.75145624 0.54788955 0.31592981 T T T # 23 Si23 0.50025855 0.23798173 0.43213484 F F F # 24 Si24 0.75025855 0.23798173 0.31714944 F F F # 25 Si25 0.50025855 0.31089909 0.06275198 F F F # 26 Si26 0.75025855 0.31089909 0.18653230 F F F # 27 Si27 0.50025855 0.38740322 0.43636443 F F F # 28 Si28 0.75025855 0.38740322 0.31291985 F F F # 29 Si29 0.49691458 0.47186888 0.56080189 T T T # 30 Si30 0.48400155 0.55382522 0.95571839 T T T # 31 Si31 0.75047900 0.46823245 0.68096275 T T T # 32 Si32 0.74631125 0.53484207 0.84733952 T T T # 33 Si33 0.50025855 0.23798173 0.93213484 F F F # 34 Si34 0.75025855 0.23798173 0.81714944 F F F # 35 Si35 0.75025855 0.31089909 0.68653230 F F F # 36 Si36 0.50025855 0.38740322 0.93636443 F F F # 37 Si37 0.75025855 0.38740322 0.81291985 F F F # 38 Si38 0.20069861 0.67931237 0.77559332 T T T # 39 Si39 0.56826394 0.68361429 0.47883222 T T T # 40 Si40 0.23719688 0.61460832 0.75512692 T T T # 41 O1 0.52063817 0.62059183 0.51284097 T T T # 42 O2 0.99535209 0.59513497 0.55263560 T T T # 43 O3 0.25163045 0.60186818 0.21736382 T T T # 44 O4 0.00817023 0.60537487 0.05019769 T T T # 45 O5 0.75926724 0.60051030 0.21494668 T T T # 46 O6 0.50030131 0.60647373 0.05546413 T T T # 47 O7 0.71841626 0.47732619 0.93784820 T T T # 48 O8 0.26980595 0.70875464 0.64199792 T T T # 49 O9 0.00224862 0.18089713 0.52823157 T T T # 50 O10 0.25667857 0.17784650 0.24019955 T T T # 51 O11 0.24133659 0.17982912 0.73147249 T T T # 52 O12 0.51642139 0.19575877 0.54890232 T T T # 53 O13 0.73738481 0.18204434 0.22062804 T T T # 54 O14 0.48844889 0.18218490 0.02537164 T T T # 55 O15 0.80554441 0.17658343 0.76429300 T T T # 56 O16 0.36123225 0.70916754 0.90821046 T T T # 57 Cl1 0.42185512 0.71067667 0.33750297 T T T # 58 Cl2 0.95150584 0.69902262 0.81212832 T T T # 59 Cl3 0.82427512 0.69344444 0.43281864 T T T # 60 Cl4 0.93694908 0.62920582 0.52941635 T T T # 61 H1 0.15196263 0.60489696 0.15821082 T T T # 62 H2 0.90788680 0.60690670 0.11027404 T T T # 63 H3 0.65713108 0.60444143 0.15840545 T T T # 64 H4 0.40181735 0.60910916 0.11723470 T T T # 65 H5 0.82338308 0.45365019 0.94403636 T T T # 66 H6 0.02190691 0.14605429 0.48574032 T T T # 67 H7 0.32290144 0.17677508 0.16191595 T T T # 68 H8 0.14778479 0.17880042 0.66989447 T T T # 69 H9 0.42104161 0.18899046 0.60758087 T T T # 70 H10 0.76063465 0.14623458 0.25525578 T T T # 71 H11 0.58776920 0.17830603 0.08145246 T T T # 72 H12 0.85292836 0.17480938 0.68002634 T T T # 73 H13 0.56393599 0.72718988 0.59017931 T T T # 74 F1 0.13590003 0.74498112 0.58763616 T T T # 75 F2