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 0.01490283 0.46696033 0.07922665 T T T # 1 Si1 0.99674361 0.54803147 0.44403501 T T T # 2 Si2 0.26724036 0.46665172 0.19816743 T T T # 3 Si3 0.24757854 0.54899904 0.31358656 T T T # 4 Si4 0.00012928 0.23754712 0.43231377 F F F # 5 Si5 0.25012928 0.23754712 0.31732837 F F F # 6 Si6 0.00012928 0.31046448 0.06293091 F F F # 7 Si7 0.25012928 0.31046448 0.18671123 F F F # 8 Si8 0.00012928 0.38696861 0.43654336 F F F # 9 Si9 0.25012928 0.38696861 0.31309878 F F F # 10 Si10 0.00404570 0.46693688 0.56087424 T T T # 11 Si11 0.00639070 0.55061083 0.95520831 T T T # 12 Si12 0.24921732 0.47108279 0.69603316 T T T # 13 Si13 0.24410623 0.55638184 0.82097483 T T T # 14 Si14 0.25012928 0.23754712 0.81732837 F F F # 15 Si15 0.00012928 0.31046448 0.56293091 F F F # 16 Si16 0.25012928 0.31046448 0.68671123 F F F # 17 Si17 0.00012928 0.38696861 0.93654336 F F F # 18 Si18 0.25012928 0.38696861 0.81309878 F F F # 19 Si19 0.51142239 0.46809514 0.06048674 T T T # 20 Si20 0.49676655 0.55698872 0.44477713 T T T # 21 Si21 0.75012159 0.46705512 0.19982984 T T T # 22 Si22 0.74899953 0.54913678 0.31444121 T T T # 23 Si23 0.50012928 0.23754712 0.43231377 F F F # 24 Si24 0.75012928 0.23754712 0.31732837 F F F # 25 Si25 0.50012928 0.31046448 0.06293091 F F F # 26 Si26 0.75012928 0.31046448 0.18671123 F F F # 27 Si27 0.50012928 0.38696861 0.43654336 F F F # 28 Si28 0.75012928 0.38696861 0.31309878 F F F # 29 Si29 0.49451946 0.47037755 0.55923837 T T T # 30 Si30 0.48085188 0.55441150 0.95598560 T T T # 31 Si31 0.74875422 0.46816036 0.68122433 T T T # 32 Si32 0.74333006 0.53490328 0.84754160 T T T # 33 Si33 0.50012928 0.23754712 0.93231377 F F F # 34 Si34 0.75012928 0.23754712 0.81732837 F F F # 35 Si35 0.75012928 0.31046448 0.68671123 F F F # 36 Si36 0.50012928 0.38696861 0.93654336 F F F # 37 Si37 0.75012928 0.38696861 0.81309878 F F F # 38 Si38 0.23836246 0.68661164 0.72836053 T T T # 39 Si39 0.49654596 0.69241333 0.52005719 T T T # 40 Si40 0.23926824 0.61447215 0.75385319 T T T # 41 O1 0.51945545 0.61416323 0.51832863 T T T # 42 O2 0.99182637 0.59628677 0.55004537 T T T # 43 O3 0.24874490 0.60078501 0.21469838 T T T # 44 O4 0.00659630 0.60442078 0.05149115 T T T # 45 O5 0.75729460 0.60015998 0.21298091 T T T # 46 O6 0.49988023 0.60570985 0.05734004 T T T # 47 O7 0.71792486 0.47731521 0.93991752 T T T # 48 O8 0.31920819 0.67422575 0.59047401 T T T # 49 O9 0.00261478 0.18052515 0.52815748 T T T # 50 O10 0.25673904 0.17762812 0.24031888 T T T # 51 O11 0.24110580 0.17948804 0.73199803 T T T # 52 O12 0.51670672 0.19535181 0.54891567 T T T # 53 O13 0.73640042 0.18172206 0.22118726 T T T # 54 O14 0.48763143 0.18199026 0.02581139 T T T # 55 O15 0.80652367 0.17635291 0.76498312 T T T # 56 O16 0.41533418 0.71013678 0.85926459 T T T # 57 Cl1 0.41931880 0.70972281 0.34338207 T T T # 58 Cl2 0.99100460 0.69907512 0.78495786 T T T # 59 Cl3 0.77437209 0.68731563 0.49356733 T T T # 60 Cl4 0.91861880 0.62940374 0.53369500 T T T # 61 H1 0.14828961 0.60560590 0.15622679 T T T # 62 H2 0.90438897 0.60743993 0.10959986 T T T # 63 H3 0.65369705 0.60684120 0.15856122 T T T # 64 H4 0.39954421 0.61034213 0.11700808 T T T # 65 H5 0.82268852 0.45338201 0.94567612 T T T # 66 H6 0.02110843 0.14536053 0.48659917 T T T # 67 H7 0.32340636 0.17597108 0.16221352 T T T # 68 H8 0.14754868 0.17805430 0.67041860 T T T # 69 H9 0.42132991 0.18784446 0.60716334 T T T # 70 H10 0.76130539 0.14568108 0.25427788 T T T # 71 H11 0.58748032 0.17746446 0.08113442 T T T # 72 H12 0.85312881 0.17395148 0.68052326 T T T # 73 H13 0.53628680 0.74970247 0.59359472 T T T # 74 F1 0.19195738 0.76132681 0.64413778 T T T # 75 F2