No title 1.0 7.76984868 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 0.01513641 0.46570447 0.07496230 T T T # 1 Si1 0.99285493 0.54834267 0.43975504 T T T # 2 Si2 0.26297319 0.46514719 0.19565031 T T T # 3 Si3 0.24140161 0.54637099 0.31382832 T T T # 4 Si4 0.00003232 0.23722116 0.43244797 F F F # 5 Si5 0.25003232 0.23722116 0.31746257 F F F # 6 Si6 0.00003232 0.31013852 0.06306511 F F F # 7 Si7 0.25003232 0.31013852 0.18684543 F F F # 8 Si8 0.00003232 0.38664265 0.43667756 F F F # 9 Si9 0.25003232 0.38664265 0.31323298 F F F # 10 Si10 0.00164360 0.46764330 0.55994584 T T T # 11 Si11 0.00543967 0.54996522 0.95494067 T T T # 12 Si12 0.24670805 0.46974243 0.69548377 T T T # 13 Si13 0.24545187 0.55201707 0.82581015 T T T # 14 Si14 0.25003232 0.23722116 0.81746257 F F F # 15 Si15 0.00003232 0.31013852 0.56306511 F F F # 16 Si16 0.25003232 0.31013852 0.68684543 F F F # 17 Si17 0.00003232 0.38664265 0.93667756 F F F # 18 Si18 0.25003232 0.38664265 0.81323298 F F F # 19 Si19 0.50855567 0.46698414 0.06315747 T T T # 20 Si20 0.49482377 0.54933938 0.43194613 T T T # 21 Si21 0.75410364 0.46482859 0.19404555 T T T # 22 Si22 0.74806048 0.54542228 0.31203267 T T T # 23 Si23 0.50003232 0.23722116 0.43244797 F F F # 24 Si24 0.75003232 0.23722116 0.31746257 F F F # 25 Si25 0.50003232 0.31013852 0.06306511 F F F # 26 Si26 0.75003232 0.31013852 0.18684543 F F F # 27 Si27 0.50003232 0.38664265 0.43667756 F F F # 28 Si28 0.75003232 0.38664265 0.31323298 F F F # 29 Si29 0.49410156 0.46812057 0.56197757 T T T # 30 Si30 0.48190093 0.55309941 0.95833180 T T T # 31 Si31 0.74936185 0.46725356 0.68146063 T T T # 32 Si32 0.74318012 0.53435452 0.84807651 T T T # 33 Si33 0.50003232 0.23722116 0.93244797 F F F # 34 Si34 0.75003232 0.23722116 0.81746257 F F F # 35 Si35 0.75003232 0.31013852 0.68684543 F F F # 36 Si36 0.50003232 0.38664265 0.93667756 F F F # 37 Si37 0.75003232 0.38664265 0.81323298 F F F # 38 Si38 0.25804720 0.67538519 0.74145150 T T T # 39 Si39 0.48067003 0.67528297 0.50761226 T T T # 40 Si40 0.24810475 0.60906649 0.74824555 T T T # 41 O1 0.50283307 0.60872536 0.50586432 T T T # 42 O2 0.99211949 0.60146129 0.53679065 T T T # 43 O3 0.24770727 0.60012163 0.21740370 T T T # 44 O4 0.00429307 0.60488770 0.04984304 T T T # 45 O5 0.75624219 0.60008895 0.21703646 T T T # 46 O6 0.49675307 0.60600791 0.05695757 T T T # 47 O7 0.71758482 0.47608010 0.93631913 T T T # 48 O8 0.32092051 0.68323225 0.60178661 T T T # 49 O9 0.00218611 0.18028413 0.52856477 T T T # 50 O10 0.25574254 0.17724025 0.24033056 T T T # 51 O11 0.24052925 0.17908966 0.73228756 T T T # 52 O12 0.51658293 0.19517148 0.54943926 T T T # 53 O13 0.73726568 0.18145033 0.22089195 T T T # 54 O14 0.48818869 0.18155422 0.02573349 T T T # 55 O15 0.80595998 0.17598196 0.76474862 T T T # 56 O16 0.43078609 0.70531392 0.86455752 T T T # 57 Cl1 0.42124564 0.70687881 0.34176565 T T T # 58 Cl2 0.02494867 0.70961876 0.77666074 T T T # 59 Cl3 0.71849111 0.70272084 0.56112242 T T T # 60 Cl4 0.90202173 0.62973758 0.53147746 T T T # 61 H1 0.14873170 0.60510221 0.15852827 T T T # 62 H2 0.90392585 0.60725166 0.10957711 T T T # 63 H3 0.65363055 0.60562896 0.16178532 T T T # 64 H4 0.39801455 0.60869258 0.11854927 T T T # 65 H5 0.82440842 0.45330737 0.94303570 T T T # 66 H6 0.02148266 0.14526866 0.48663545 T T T # 67 H7 0.32247781 0.17586847 0.16232455 T T T # 68 H8 0.14734739 0.17795859 0.67045159 T T T # 69 H9 0.42107900 0.18802321 0.60772553 T T T # 70 H10 0.76234432 0.14550070 0.25435192 T T T # 71 H11 0.58750985 0.17744857 0.08168611 T T T # 72 H12 0.85284518 0.17397740 0.68035850 T T T # 73 H13 0.49011239 0.77541877 0.59481396 T T T # 74 F1 0.29340989 0.78942054 0.61731714 T T T # 75 F2