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{
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"structure_string": "Sn1 H22 C12 O4\n1.0\n4.947819 0.056721 0.421284\n1.313480 6.991830 2.621098\n-0.005695 -0.316847 9.784166\nSn H C O\n1 22 12 4\ndirect\n0.326700 0.348552 0.120622 Sn\n0.503954 0.675095 0.616944 H\n0.086718 0.045245 0.223038 H\n0.387889 0.014009 0.324896 H\n0.560583 0.657181 0.032448 H\n0.196003 0.730239 0.065187 H\n0.339465 0.494147 0.725364 H\n0.427382 0.974845 0.151689 H\n0.387083 0.346116 0.525705 H\n0.707409 0.368078 0.578244 H\n0.670723 0.678703 0.365015 H\n0.315764 0.668402 0.904430 H\n0.277642 0.896813 0.711428 H\n0.381839 0.614017 0.309632 H\n0.877658 0.923920 0.887931 H\n0.691917 0.109090 0.751773 H\n0.242778 0.114239 0.874267 H\n0.079899 0.293637 0.728055 H\n0.114929 0.795168 0.444678 H\n0.882522 0.710072 0.754126 H\n0.724036 0.884761 0.600677 H\n0.078354 0.073718 0.573871 H\n0.963767 0.600639 0.538919 H\n0.038680 0.181608 0.826469 C\n0.064194 0.958843 0.675748 C\n0.902083 0.040599 0.789460 C\n0.087569 0.697840 0.552950 C\n0.925803 0.810451 0.649183 C\n0.575148 0.559281 0.368966 C\n0.871170 0.282328 0.926543 C\n0.367124 0.580552 0.613076 C\n0.769256 0.429250 0.299077 C\n0.303453 0.057367 0.216807 C\n0.352487 0.639265 0.018653 C\n0.512411 0.449755 0.526274 C\n0.021265 0.446940 0.281926 O\n-0.023104 0.393341 0.971334 O\n0.625575 0.255143 0.957992 O\n0.680207 0.302344 0.264949 O\n",
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"structure_string": "B2 H6 N2 F8\n1.0\n5.042159 -0.061490 -1.682405\n-1.114558 4.783568 -1.472139\n0.053291 0.058584 6.510956\nB H N F\n2 6 2 8\ndirect\n0.641638 0.746927 0.320586 B\n0.358362 0.253073 0.679415 B\n0.868047 0.704556 0.875857 H\n0.131952 0.295444 0.124144 H\n0.172584 0.875047 0.886636 H\n0.827415 0.124952 0.113365 H\n0.139349 0.842448 0.132357 H\n0.860651 0.157551 0.867644 H\n0.959662 0.131266 0.023171 N\n0.040337 0.868734 0.976830 N\n0.779065 0.862808 0.557904 F\n0.220934 0.137192 0.442097 F\n0.617044 0.963420 0.221602 F\n0.382955 0.036579 0.778399 F\n0.370124 0.601973 0.273032 F\n0.629876 0.398026 0.726969 F\n0.778749 0.565163 0.217842 F\n0.221250 0.434836 0.782159 F\n",
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"structure_string": "Ba1 Ca1 Mn4 O8\n1.0\n2.745411 -4.755191 0.000000\n2.745411 4.755191 0.000000\n-0.000000 -0.000000 7.599748\nBa Ca Mn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.755268 Mn\n0.666667 0.333333 0.755268 Mn\n0.333333 0.666667 0.244732 Mn\n0.666667 0.333333 0.244732 Mn\n0.328676 0.328676 0.699368 O\n0.671324 -0.000000 0.699368 O\n-0.000000 0.671324 0.699368 O\n0.671324 0.671324 0.300632 O\n-0.000000 0.328676 0.300632 O\n0.328676 -0.000000 0.300632 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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"structure_string": "Li4 Ti2 Cu2 O8\n1.0\n6.109322 -0.585475 -0.026878\n-0.212532 6.133630 -0.026878\n-2.969338 -2.793782 4.075811\nLi Ti Cu O\n4 2 2 8\ndirect\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 -0.000000 Li\n0.500000 0.500000 -0.000000 Li\n-0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.218070 0.781955 0.015448 O\n0.221108 0.253337 0.487176 O\n0.218045 0.781930 0.484551 O\n0.746662 0.778892 0.012823 O\n0.253337 0.221108 0.987176 O\n0.781954 0.218071 0.515448 O\n0.778891 0.746663 0.512823 O\n0.781929 0.218046 0.984551 O\n",
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}