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 0.01466842 0.46536251 0.07761104 T T T # 1 Si1 0.99341839 0.54800706 0.44035080 T T T # 2 Si2 0.26526840 0.46583042 0.19679446 T T T # 3 Si3 0.24400998 0.54769945 0.31424536 T T T # 4 Si4 0.00006464 0.23732981 0.43240323 F F F # 5 Si5 0.25006464 0.23732981 0.31741783 F F F # 6 Si6 0.00006464 0.31024717 0.06302037 F F F # 7 Si7 0.25006464 0.31024717 0.18680069 F F F # 8 Si8 0.00006464 0.38675130 0.43663282 F F F # 9 Si9 0.25006464 0.38675130 0.31318824 F F F # 10 Si10 0.00186472 0.46756493 0.55990796 T T T # 11 Si11 0.00313976 0.54902186 0.95821200 T T T # 12 Si12 0.24770463 0.46922540 0.69521432 T T T # 13 Si13 0.24364605 0.55048484 0.82965253 T T T # 14 Si14 0.25006464 0.23732981 0.81741783 F F F # 15 Si15 0.00006464 0.31024717 0.56302037 F F F # 16 Si16 0.25006464 0.31024717 0.68680069 F F F # 17 Si17 0.00006464 0.38675130 0.93663282 F F F # 18 Si18 0.25006464 0.38675130 0.81318824 F F F # 19 Si19 0.51037093 0.46706216 0.06251984 T T T # 20 Si20 0.49764183 0.55563036 0.43631747 T T T # 21 Si21 0.75302725 0.46494813 0.19544511 T T T # 22 Si22 0.74852997 0.54617950 0.31141957 T T T # 23 Si23 0.50006464 0.23732981 0.43240323 F F F # 24 Si24 0.75006464 0.23732981 0.31741783 F F F # 25 Si25 0.50006464 0.31024717 0.06302037 F F F # 26 Si26 0.75006464 0.31024717 0.18680069 F F F # 27 Si27 0.50006464 0.38675130 0.43663282 F F F # 28 Si28 0.75006464 0.38675130 0.31318824 F F F # 29 Si29 0.49442744 0.46971747 0.56057433 T T T # 30 Si30 0.48322019 0.55320309 0.95965810 T T T # 31 Si31 0.74879223 0.46745295 0.68182088 T T T # 32 Si32 0.74315332 0.53459850 0.84764929 T T T # 33 Si33 0.50006464 0.23732981 0.93240323 F F F # 34 Si34 0.75006464 0.23732981 0.81741783 F F F # 35 Si35 0.75006464 0.31024717 0.68680069 F F F # 36 Si36 0.50006464 0.38675130 0.93663282 F F F # 37 Si37 0.75006464 0.38675130 0.81318824 F F F # 38 Si38 0.25150495 0.67576679 0.74042151 T T T # 39 Si39 0.47902266 0.68637601 0.51566548 T T T # 40 Si40 0.23927412 0.60844171 0.75851818 T T T # 41 O1 0.51296544 0.61458381 0.50299037 T T T # 42 O2 0.98881119 0.59938809 0.54061191 T T T # 43 O3 0.24723798 0.60015253 0.21589119 T T T # 44 O4 0.00415013 0.60459399 0.04990287 T T T # 45 O5 0.75733171 0.59985576 0.21527956 T T T # 46 O6 0.49707529 0.60617545 0.05715746 T T T # 47 O7 0.71709015 0.47643815 0.93768591 T T T # 48 O8 0.30805600 0.67710835 0.59832388 T T T # 49 O9 0.00236518 0.18043338 0.52831464 T T T # 50 O10 0.25614449 0.17746263 0.24049508 T T T # 51 O11 0.24084032 0.17925324 0.73242742 T T T # 52 O12 0.51657231 0.19514995 0.54892401 T T T # 53 O13 0.73682022 0.18159849 0.22121677 T T T # 54 O14 0.48786354 0.18179556 0.02573643 T T T # 55 O15 0.80624952 0.17619557 0.76511289 T T T # 56 O16 0.42930562 0.70543466 0.86244489 T T T # 57 Cl1 0.42392453 0.70633313 0.33674971 T T T # 58 Cl2 0.01807192 0.70942633 0.78183837 T T T # 59 Cl3 0.74446438 0.69881050 0.55102562 T T T # 60 Cl4 0.90701561 0.63006752 0.53288678 T T T # 61 H1 0.14785107 0.60510283 0.15734838 T T T # 62 H2 0.90386402 0.60739259 0.10964779 T T T # 63 H3 0.65367153 0.60622065 0.16134446 T T T # 64 H4 0.39823811 0.60939268 0.11861320 T T T # 65 H5 0.82293229 0.45318359 0.94421092 T T T # 66 H6 0.02113187 0.14528947 0.48671074 T T T # 67 H7 0.32288649 0.17584833 0.16253018 T T T # 68 H8 0.14752188 0.17788518 0.67074016 T T T # 69 H9 0.42138240 0.18777711 0.60727923 T T T # 70 H10 0.76199872 0.14556150 0.25423836 T T T # 71 H11 0.58737356 0.17734284 0.08134187 T T T # 72 H12 0.85296791 0.17386309 0.68074104 T T T # 73 H13 0.50799211 0.76069385 0.56971149 T T T # 74 F1 0.26768051 0.79157175 0.62313545 T T T # 75 F2