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Se\n0.375638 0.936734 0.755318 Se\n0.624056 0.063299 0.244605 Se\n0.622425 0.162688 0.249786 Se\n0.624362 0.263266 0.244682 Se\n0.624792 0.363305 0.245402 Se\n0.625355 0.463251 0.245666 Se\n0.625398 0.563255 0.245635 Se\n0.749596 0.025368 0.123103 Se\n0.625435 0.663250 0.245647 Se\n0.756332 0.125544 0.121643 Se\n0.625375 0.763245 0.245675 Se\n0.763738 0.999961 0.763317 Se\n0.749429 0.225355 0.123136 Se\n0.625220 0.863282 0.245261 Se\n0.758669 0.100269 0.758154 Se\n0.754961 0.325436 0.121025 Se\n0.623528 0.962678 0.249668 Se\n0.763585 0.200018 0.763110 Se\n0.754715 0.425308 0.121988 Se\n0.758823 0.300217 0.758292 Se\n0.754760 0.525286 0.121981 Se\n0.759055 0.400127 0.758590 Se\n0.754748 0.625278 0.122019 Se\n0.759110 0.500104 0.758659 Se\n0.754749 0.725273 0.122056 Se\n0.759180 0.600092 0.758745 Se\n0.877163 0.062713 0.623021 Se\n0.754992 0.825291 0.122032 Se\n0.759160 0.700086 0.758784 Se\n0.878297 0.162275 0.622237 Se\n0.756172 0.925360 0.122693 Se\n0.759398 0.800070 0.758743 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0.512451 Ca\n0.533156 0.623682 0.971762 Ca\n0.495500 0.380673 0.523409 Ca\n0.521677 0.854336 0.976577 Ca\n0.498902 0.861085 0.496380 Ca\n0.968090 0.394702 0.006355 Ca\n0.954556 0.388537 0.508695 Ca\n0.956601 0.870416 0.994791 Ca\n0.965156 0.865245 0.511607 Ca\n0.239237 0.406651 0.754976 Ca\n0.236594 0.879276 0.276874 Ca\n0.228798 0.856213 0.732214 Ca\n0.761297 0.394647 0.257319 Ca\n0.733716 0.388219 0.761684 Ca\n0.743911 0.858296 0.247324 Ca\n0.721591 0.864842 0.738571 Ca\n0.227659 0.113816 0.735122 Ca\n0.234093 0.621723 0.266583 Ca\n0.268094 0.627397 0.735335 Ca\n0.761165 0.114202 0.242754 Ca\n0.769548 0.126502 0.755395 Ca\n0.780502 0.622493 0.260264 Ca\n0.772854 0.624507 0.758534 Ca\n0.987479 0.992674 0.258750 Ti\n0.988791 0.990924 0.759624 Ti\n0.248788 0.979738 0.013289 Ti\n0.239990 0.997557 0.512684 Ti\n0.264383 0.239268 0.931936 Ti\n0.255983 0.244597 0.447757 Ti\n0.972574 0.253211 0.273505 Ti\n0.998033 0.260324 0.784741 Ti\n0.005453 0.501207 0.251894 Mn\n0.998097 0.501993 0.756410 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0.245395 0.930520 O\n0.892540 0.732097 0.407042 O\n0.904316 0.731321 0.898597 O\n0.152989 0.252490 0.315496 O\n0.179601 0.258614 0.788222 O\n0.162932 0.749846 0.337361 O\n0.150332 0.737312 0.844463 O\n0.645260 0.212175 0.344753 O\n0.661776 0.234175 0.856875 O\n0.652234 0.725917 0.355924 O\n0.644810 0.731547 0.855152 O\n0.351768 0.754206 0.637726 O\n0.840319 0.261989 0.167652 O\n0.878653 0.263351 0.666976 O\n0.875134 0.772575 0.143671 O\n0.853972 0.774206 0.646976 O\n0.366196 0.517216 0.157954 O\n0.354595 0.495113 0.630873 O\n0.372137 0.041189 0.095664 O\n0.369716 0.045231 0.605421 O\n0.866799 0.491204 0.146148 O\n0.853074 0.477252 0.648151 O\n0.863769 0.975938 0.152819 O\n0.864370 0.982549 0.654185 O\n0.176890 0.015066 0.359176 O\n0.212005 0.993563 0.854603 O\n0.152453 0.498297 0.352685 O\n0.153941 0.527076 0.857868 O\n0.623341 0.021641 0.336378 O\n0.629724 0.034598 0.835490 O\n0.622807 0.526744 0.367495 O\n0.642682 0.513279 0.862990 O\n0.394200 0.516828 0.896375 O\n0.894164 0.011331 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0.558828 0.346021 H\n0.820602 0.138195 0.929988 H\n0.861274 0.180051 0.569458 H\n0.180051 0.861274 0.069458 H\n0.138195 0.820602 0.429988 H\n0.776340 0.221129 0.828129 H\n0.776945 0.225332 0.670812 H\n0.225332 0.776945 0.170812 H\n0.221129 0.776340 0.328129 H\n0.916962 0.593353 0.753227 H\n0.405836 0.081611 0.747181 H\n0.081611 0.405836 0.247181 H\n0.593353 0.916962 0.253227 H\n0.696478 0.981997 0.722787 H\n0.017491 0.303488 0.777270 H\n0.303488 0.017491 0.277270 H\n0.981997 0.696478 0.222787 H\n0.572653 0.010810 0.868678 H\n0.987923 0.428122 0.631043 H\n0.428122 0.987923 0.131043 H\n0.010810 0.572653 0.368678 H\n0.336660 0.470807 0.085932 H\n0.586718 0.569812 0.448076 H\n0.569812 0.586718 0.948076 H\n0.470807 0.336660 0.585933 H\n0.740801 0.622001 0.792887 H\n0.377667 0.257637 0.707886 H\n0.257637 0.377667 0.207886 H\n0.622001 0.740801 0.292887 H\n0.872419 0.586106 0.862626 H\n0.413635 0.126195 0.637869 H\n0.126195 0.413635 0.137869 H\n0.586106 0.872419 0.362626 H\n0.441942 0.563462 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C\n0.867205 0.736075 0.221203 C\n0.832170 0.639570 0.802889 C\n0.359839 0.166503 0.697560 C\n0.166503 0.359839 0.197560 C\n0.639570 0.832170 0.302889 C\n0.831170 0.118463 0.864175 C\n0.880068 0.169751 0.635367 C\n0.169751 0.880068 0.135367 C\n0.118463 0.831170 0.364175 C\n0.392831 0.526858 0.048186 C\n0.471243 0.613070 0.449181 C\n0.613070 0.471243 0.949181 C\n0.526858 0.392831 0.548186 C\n0.878192 0.760971 0.946968 N\n0.238288 0.122206 0.553098 N\n0.122206 0.238288 0.053098 N\n0.760971 0.878192 0.446968 N\n0.768142 0.024791 0.852843 N\n0.973835 0.232729 0.646992 N\n0.232729 0.973835 0.146992 N\n0.024791 0.768142 0.352843 N\n0.786814 0.792955 0.801459 N\n0.206426 0.212456 0.698710 N\n0.212456 0.206426 0.198710 N\n0.792955 0.786814 0.301459 N\n0.505931 0.423964 0.993188 N\n0.423964 0.505931 0.493188 N\n0.337357 0.475310 0.839430 Cl\n0.519459 0.667720 0.664539 Cl\n0.667720 0.519459 0.164539 Cl\n0.475310 0.337357 0.339430 Cl\n0.165764 0.663222 0.617792 Cl\n0.329663 0.845570 0.878292 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