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{
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"structure_string": "H38 Pb2 C30 S4 N6 O10\n1.0\n7.359367 0.000000 0.000000\n-1.368148 11.985209 0.000000\n-2.177286 -1.596974 12.419725\nH Pb C S N O\n38 2 30 4 6 10\ndirect\n0.848720 0.019216 0.900336 H\n0.151280 0.980784 0.099664 H\n0.734798 0.033849 0.012756 H\n0.265202 0.966151 0.987244 H\n0.601966 0.983031 0.881929 H\n0.398034 0.016969 0.118071 H\n0.662926 0.317599 0.983120 H\n0.337074 0.682401 0.016880 H\n0.619125 0.203892 0.059307 H\n0.380875 0.796108 0.940693 H\n0.852543 0.255145 0.050944 H\n0.147457 0.744855 0.949056 H\n0.934066 0.500018 0.127032 H\n0.065934 0.499982 0.872968 H\n0.687223 0.499890 0.104923 H\n0.312777 0.500110 0.895077 H\n0.830046 0.602834 0.053172 H\n0.169954 0.397166 0.946828 H\n0.703904 0.532968 0.320478 H\n0.296096 0.467032 0.679522 H\n0.936856 0.507499 0.317165 H\n0.063144 0.492501 0.682835 H\n0.895053 0.633968 0.390575 H\n0.104947 0.366032 0.609425 H\n0.047791 0.186538 0.223782 H\n0.952209 0.813462 0.776218 H\n0.320723 0.215631 0.182318 H\n0.679277 0.784369 0.817682 H\n0.406362 0.361898 0.196600 H\n0.593638 0.638102 0.803400 H\n0.507986 0.275175 0.289743 H\n0.492014 0.724825 0.710257 H\n0.189588 0.415072 0.441408 H\n0.810412 0.584928 0.558592 H\n0.424009 0.384106 0.452826 H\n0.575991 0.615894 0.547174 H\n0.343486 0.483968 0.366732 H\n0.656514 0.516032 0.633268 H\n0.755112 0.087427 0.443235 Pb\n0.244888 0.912573 0.556765 Pb\n0.676146 0.139388 0.707304 C\n0.323854 0.860612 0.292696 C\n0.681224 0.191790 0.814268 C\n0.318776 0.808210 0.185732 C\n0.827626 0.830345 0.299501 C\n0.172374 0.169655 0.700499 C\n0.830194 0.736678 0.220869 C\n0.169806 0.263322 0.779131 C\n0.676294 0.246872 0.664303 C\n0.323706 0.753128 0.335697 C\n0.669877 0.304553 0.775480 C\n0.330123 0.695447 0.224520 C\n0.798715 0.905767 0.217223 C\n0.201285 0.094233 0.782777 C\n0.810179 0.809641 0.132102 C\n0.189821 0.190359 0.867898 C\n0.721753 0.041599 0.926790 C\n0.278247 0.958401 0.073210 C\n0.708103 0.238809 0.006548 C\n0.291897 0.761191 0.993452 C\n0.822598 0.553659 0.120343 C\n0.177402 0.446341 0.879657 C\n0.845038 0.573006 0.318418 C\n0.154962 0.426994 0.681582 C\n0.071715 0.254602 0.292287 C\n0.928285 0.745398 0.707713 C\n0.376677 0.290202 0.240748 C\n0.623323 0.709798 0.759252 C\n0.303712 0.404777 0.397750 C\n0.696288 0.595223 0.602250 C\n0.674602 0.008956 0.641758 S\n0.325398 0.991044 0.358242 S\n0.839269 0.856503 0.434615 S\n0.160731 0.143497 0.565385 S\n0.695473 0.157880 0.910555 N\n0.304527 0.842120 0.089445 N\n0.842901 0.628279 0.221293 N\n0.157099 0.371721 0.778707 N\n0.242920 0.313980 0.309344 N\n0.757080 0.686020 0.690656 N\n0.684855 0.274262 0.573299 O\n0.315145 0.725738 0.426701 O\n0.656669 0.399513 0.817078 O\n0.343331 0.600487 0.182922 O\n0.771686 0.005773 0.220176 O\n0.228314 0.994227 0.779824 O\n0.808481 0.795885 0.034753 O\n0.191519 0.204115 0.965247 O\n0.948562 0.271758 0.346457 O\n0.051438 0.728242 0.653543 O\n",
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},
{
"id": "mp-1199356",
"created_at": "2022-09-04T14:44:53.239452Z",
"structure_string": "La4 H24 C8 S4 N4 O36\n1.0\n9.085300 0.000000 0.000000\n0.000000 6.732020 0.000000\n0.000000 5.651208 14.371866\nLa H C S N O\n4 24 8 4 4 36\ndirect\n0.235777 0.338016 0.409308 La\n0.264223 0.338016 0.909308 La\n0.764223 0.661984 0.590692 La\n0.735777 0.661984 0.090692 La\n0.188521 0.918363 0.662428 H\n0.311479 0.918363 0.162428 H\n0.811479 0.081637 0.337572 H\n0.688521 0.081637 0.837572 H\n0.052982 0.094375 0.657766 H\n0.447018 0.094375 0.157766 H\n0.947018 0.905625 0.342234 H\n0.552982 0.905625 0.842234 H\n0.132153 0.958067 0.759865 H\n0.367847 0.958067 0.259865 H\n0.867847 0.041933 0.240135 H\n0.632153 0.041933 0.740135 H\n0.468474 0.279824 0.577102 H\n0.031526 0.279824 0.077102 H\n0.531526 0.720176 0.422898 H\n0.968474 0.720176 0.922898 H\n0.465393 0.051596 0.573342 H\n0.034607 0.051596 0.073342 H\n0.534607 0.948404 0.426658 H\n0.965393 0.948404 0.926658 H\n0.225165 0.153046 0.679791 H\n0.274835 0.153046 0.179791 H\n0.774835 0.846954 0.320209 H\n0.725165 0.846954 0.820209 H\n0.532459 0.580997 0.282225 C\n0.967541 0.580997 0.782225 C\n0.467541 0.419003 0.717775 C\n0.032459 0.419003 0.217775 C\n0.525886 0.361874 0.270463 C\n0.974114 0.361874 0.770463 C\n0.474114 0.638126 0.729537 C\n0.025886 0.638126 0.229537 C\n0.164957 0.742752 0.523555 S\n0.335043 0.742752 0.023555 S\n0.835043 0.257248 0.476445 S\n0.664957 0.257248 0.976445 S\n0.150881 0.031546 0.689676 N\n0.349119 0.031546 0.189676 N\n0.849119 0.968454 0.310324 N\n0.650881 0.968454 0.810324 N\n0.233136 0.568702 0.499270 O\n0.266864 0.568702 0.999270 O\n0.766864 0.431298 0.500730 O\n0.733136 0.431298 0.000730 O\n0.228832 0.950356 0.461563 O\n0.271168 0.950356 0.961563 O\n0.771168 0.049644 0.538437 O\n0.728832 0.049644 0.038437 O\n0.444747 0.219699 0.327082 O\n0.055253 0.219699 0.827082 O\n0.555253 0.780301 0.672918 O\n0.944747 0.780301 0.172918 O\n0.415837 0.190564 0.548509 O\n0.084163 0.190564 0.048509 O\n0.584163 0.809436 0.451491 O\n0.915837 0.809436 0.951491 O\n0.446778 0.606543 0.342737 O\n0.053222 0.606543 0.842737 O\n0.553222 0.393457 0.657263 O\n0.946778 0.393457 0.157263 O\n0.120318 0.280456 0.269240 O\n0.379682 0.280456 0.769240 O\n0.879682 0.719544 0.730760 O\n0.620318 0.719544 0.230760 O\n0.997585 0.253975 0.493252 O\n0.502415 0.253975 0.993252 O\n0.002415 0.746025 0.506748 O\n0.497585 0.746025 0.006748 O\n0.100058 0.657575 0.295465 O\n0.399942 0.657575 0.795465 O\n0.899942 0.342425 0.704535 O\n0.600058 0.342425 0.204535 O\n0.195716 0.707131 0.622195 O\n0.304284 0.707131 0.122195 O\n0.804284 0.292869 0.377805 O\n0.695716 0.292869 0.877805 O\n",
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{
"id": "mp-1192972",
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"structure_string": "Pb2 C6 S4 N2 O8 F4\n1.0\n7.457516 0.000000 0.000000\n-1.619614 7.596196 0.000000\n-2.717270 -1.617983 9.908697\nPb C S N O F\n2 6 4 2 8 4\ndirect\n0.408448 0.771363 0.701065 Pb\n0.591552 0.228637 0.298935 Pb\n0.335532 0.699000 0.472406 C\n0.664468 0.301000 0.527594 C\n0.334051 0.520304 0.793722 C\n0.665949 0.479696 0.206278 C\n0.477378 0.053036 0.809883 C\n0.522622 0.946964 0.190117 C\n0.872542 0.731677 0.891852 S\n0.127458 0.268323 0.108148 S\n0.888010 0.850325 0.648070 S\n0.111990 0.149675 0.351930 S\n0.766917 0.781807 0.747155 N\n0.233083 0.218193 0.252845 N\n0.744214 0.731247 0.972825 O\n0.255786 0.268753 0.027175 O\n0.071991 0.818284 0.942074 O\n0.928009 0.181716 0.057926 O\n0.034906 0.757236 0.641142 O\n0.965094 0.242764 0.358858 O\n0.758129 0.871172 0.525521 O\n0.241871 0.128828 0.474479 O\n0.863984 0.525529 0.847930 F\n0.136016 0.474471 0.152070 F\n0.003816 0.047231 0.722028 F\n0.996184 0.952769 0.277972 F\n",
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{
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"structure_string": "K4 Co2 C8 S8 N8 O6\n1.0\n5.734296 0.000000 0.000000\n0.000000 12.550264 0.000000\n0.000000 0.000000 12.888746\nK Co C S N O\n4 2 8 8 8 6\ndirect\n0.215824 0.651816 0.137525 K\n0.215824 0.348184 0.862475 K\n0.784176 0.848184 0.637525 K\n0.784176 0.151816 0.362475 K\n0.251196 0.500000 0.500000 Co\n0.748804 0.000000 0.000000 Co\n0.929387 0.663321 0.385289 C\n0.929387 0.336679 0.614711 C\n0.070613 0.836679 0.885289 C\n0.070613 0.163321 0.114711 C\n0.437123 0.922979 0.181733 C\n0.437123 0.077021 0.818267 C\n0.562877 0.577021 0.681733 C\n0.562877 0.422979 0.318267 C\n0.746386 0.739513 0.313203 S\n0.746386 0.260487 0.686797 S\n0.253614 0.760487 0.813203 S\n0.253614 0.239513 0.186797 S\n0.261475 0.888226 0.273190 S\n0.261475 0.111774 0.726810 S\n0.738525 0.611774 0.773190 S\n0.738525 0.388226 0.226810 S\n0.054010 0.609600 0.435567 N\n0.054010 0.390400 0.564433 N\n0.945990 0.890400 0.935567 N\n0.945990 0.109600 0.064433 N\n0.567381 0.948246 0.114252 N\n0.567381 0.051754 0.885748 N\n0.432619 0.551754 0.614252 N\n0.432619 0.448246 0.385748 N\n0.760402 0.696561 0.201376 O\n0.760402 0.303439 0.798624 O\n0.239598 0.803439 0.701376 O\n0.239598 0.196561 0.298624 O\n0.842593 0.000000 0.500000 O\n0.157407 0.500000 0.000000 O\n",
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},
{
"id": "mp-1182759",
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"structure_string": "Na4 Te1 Mo6 H40 N2 O40\n1.0\n10.972436 0.000000 0.000000\n-1.283591 10.911411 0.000000\n-4.284616 -5.854131 8.321459\nNa Te Mo H N O\n4 1 6 40 2 40\ndirect\n0.870795 0.539003 0.373988 Na\n0.129205 0.460997 0.626012 Na\n0.284675 0.652204 0.251910 Na\n0.715325 0.347796 0.748090 Na\n0.000000 0.000000 0.000000 Te\n0.334861 0.134460 0.093943 Mo\n0.665139 0.865540 0.906057 Mo\n0.732510 0.825844 0.621292 Mo\n0.267490 0.174156 0.378708 Mo\n0.069072 0.959744 0.718191 Mo\n0.930928 0.040256 0.281809 Mo\n0.473185 0.035317 0.772229 H\n0.526815 0.964683 0.227771 H\n0.478228 0.198732 0.780821 H\n0.521772 0.801268 0.219179 H\n0.594344 0.969939 0.396626 H\n0.405656 0.030061 0.603374 H\n0.322484 0.071391 0.708223 H\n0.677516 0.928609 0.291777 H\n0.954453 0.645851 0.695581 H\n0.045547 0.354149 0.304419 H\n0.841647 0.486659 0.598214 H\n0.158353 0.513341 0.401786 H\n0.611157 0.280280 0.128680 H\n0.388843 0.719720 0.871320 H\n0.725549 0.206086 0.151441 H\n0.274451 0.793914 0.848559 H\n0.847562 0.581627 0.109264 H\n0.152438 0.418373 0.890736 H\n0.803768 0.697830 0.214384 H\n0.196232 0.302170 0.785616 H\n0.109638 0.316006 0.019776 H\n0.890362 0.683994 0.980224 H\n0.999183 0.391367 0.012675 H\n0.000817 0.608633 0.987325 H\n0.763736 0.300170 0.011708 H\n0.236264 0.699830 0.988292 H\n0.805541 0.180265 0.906579 H\n0.194459 0.819735 0.093421 H\n0.485895 0.432058 0.799362 H\n0.514105 0.567942 0.200638 H\n0.618181 0.474413 0.960429 H\n0.381819 0.525587 0.039571 H\n0.661942 0.545258 0.632520 H\n0.338058 0.454742 0.367480 H\n0.575962 0.379572 0.481780 H\n0.424038 0.620428 0.518220 H\n0.840882 0.120098 0.637325 H\n0.159118 0.879902 0.362675 H\n0.865668 0.212405 0.571602 H\n0.134332 0.787595 0.428398 H\n0.421331 0.084401 0.717390 N\n0.578669 0.915599 0.282610 N\n0.341994 0.273177 0.298612 O\n0.658006 0.726823 0.701388 O\n0.238667 0.959113 0.869542 O\n0.761333 0.040887 0.130458 O\n0.418170 0.271496 0.082847 O\n0.581830 0.728504 0.917153 O\n0.466494 0.072002 0.165666 O\n0.533506 0.927998 0.834334 O\n0.818569 0.010452 0.884886 O\n0.181431 0.989548 0.115114 O\n0.111791 0.131563 0.976061 O\n0.888209 0.868437 0.023939 O\n0.955852 0.838046 0.786582 O\n0.044148 0.161954 0.213418 O\n0.881102 0.972654 0.648015 O\n0.118898 0.027346 0.351985 O\n0.710038 0.661921 0.453527 O\n0.289962 0.338079 0.546473 O\n0.593089 0.880019 0.549345 O\n0.406911 0.119981 0.450655 O\n0.155054 0.104639 0.717523 O\n0.844946 0.895361 0.282477 O\n0.037274 0.792550 0.546542 O\n0.962726 0.207450 0.453458 O\n0.933856 0.539207 0.618358 O\n0.066144 0.460793 0.381642 O\n0.710158 0.294377 0.154243 O\n0.289842 0.705623 0.845757 O\n0.210683 0.409462 0.839756 O\n0.789317 0.590538 0.160244 O\n0.902681 0.591170 0.966902 O\n0.097319 0.408830 0.033098 O\n0.795532 0.277169 0.933271 O\n0.204468 0.722831 0.066729 O\n0.449371 0.607452 0.154686 O\n0.550629 0.392548 0.845314 O\n0.663848 0.443028 0.587222 O\n0.336152 0.556972 0.412778 O\n0.192751 0.811078 0.388552 O\n0.807249 0.188922 0.611448 O\n",
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H\n0.750777 0.064607 0.382017 H\n0.750777 0.435393 0.882017 H\n0.249223 0.935393 0.617983 H\n0.318733 0.646884 0.084129 H\n0.681267 0.146884 0.415871 H\n0.681267 0.353116 0.915871 H\n0.318733 0.853116 0.584129 H\n0.950955 0.624377 0.024350 H\n0.049045 0.124377 0.475650 H\n0.049045 0.375623 0.975650 H\n0.950955 0.875623 0.524350 H\n0.122220 0.630212 0.010017 H\n0.877780 0.130212 0.489983 H\n0.877780 0.369788 0.989983 H\n0.122220 0.869788 0.510017 H\n0.060298 0.548430 0.046289 H\n0.939702 0.048430 0.453711 H\n0.939702 0.451570 0.953711 H\n0.060298 0.951570 0.546289 H\n0.883361 0.620305 0.144810 H\n0.116639 0.120305 0.355190 H\n0.116639 0.379695 0.855190 H\n0.883361 0.879695 0.644810 H\n0.005034 0.544452 0.140965 H\n0.994966 0.044452 0.359035 H\n0.994966 0.455548 0.859035 H\n0.005034 0.955548 0.640965 H\n0.022070 0.621640 0.188388 H\n0.977930 0.121640 0.311612 H\n0.977930 0.378360 0.811612 H\n0.022070 0.878360 0.688388 H\n0.488857 0.210574 0.653734 Ir\n0.511143 0.710574 0.846266 Ir\n0.511143 0.789426 0.346266 Ir\n0.488857 0.289426 0.153734 Ir\n0.069323 0.802203 0.095750 Ir\n0.930677 0.302203 0.404250 Ir\n0.930677 0.197797 0.904250 Ir\n0.069323 0.697797 0.595750 Ir\n0.630185 0.126785 0.683783 C\n0.369815 0.626785 0.816217 C\n0.369815 0.873215 0.316217 C\n0.630185 0.373215 0.183783 C\n0.746134 0.133618 0.650599 C\n0.253866 0.633618 0.849401 C\n0.253866 0.866382 0.349401 C\n0.746134 0.366382 0.150599 C\n0.248434 0.819946 0.050744 C\n0.751566 0.319946 0.449256 C\n0.751566 0.180054 0.949256 C\n0.248434 0.680054 0.550744 C\n0.355420 0.812674 0.089842 C\n0.644580 0.312674 0.410158 C\n0.644580 0.187326 0.910158 C\n0.355420 0.687326 0.589842 C\n0.314046 0.187175 0.769092 C\n0.685954 0.687175 0.730908 C\n0.685954 0.812825 0.230908 C\n0.314046 0.312825 0.269092 C\n0.159139 0.156435 0.677143 C\n0.840861 0.656435 0.822857 C\n0.840861 0.843565 0.322857 C\n0.159139 0.343565 0.177143 C\n0.205412 0.311840 0.705863 C\n0.794588 0.811840 0.794137 C\n0.794588 0.688160 0.294137 C\n0.205412 0.188160 0.205863 C\n0.619084 0.404109 0.631572 C\n0.380916 0.904109 0.868428 C\n0.380916 0.595891 0.368428 C\n0.619084 0.095891 0.131572 C\n0.532041 0.385587 0.735897 C\n0.467959 0.885587 0.764103 C\n0.467959 0.614413 0.264103 C\n0.532041 0.114413 0.235897 C\n0.764295 0.310850 0.704275 C\n0.235705 0.810851 0.795725 C\n0.235705 0.689149 0.295725 C\n0.764295 0.189149 0.204275 C\n0.743411 0.731513 0.066836 C\n0.256589 0.231513 0.433164 C\n0.256589 0.268487 0.933164 C\n0.743411 0.768487 0.566836 C\n0.776723 0.894225 0.053284 C\n0.223277 0.394225 0.446716 C\n0.223277 0.105775 0.946716 C\n0.776723 0.605775 0.553284 C\n0.893256 0.790089 0.979703 C\n0.106744 0.290089 0.520297 C\n0.106744 0.209911 0.020297 C\n0.893256 0.709911 0.479703 C\n0.251816 0.629159 0.115465 C\n0.748184 0.129159 0.384535 C\n0.748184 0.370841 0.884535 C\n0.251816 0.870841 0.615465 C\n0.050610 0.612058 0.039547 C\n0.949390 0.112058 0.460453 C\n0.949390 0.387942 0.960453 C\n0.050610 0.887942 0.539547 C\n0.989201 0.607582 0.148275 C\n0.010799 0.107582 0.351725 C\n0.010799 0.392418 0.851725 C\n0.989201 0.892418 0.648275 C\n0.283852 0.089197 0.554377 Cl\n0.716148 0.589197 0.945623 Cl\n0.716148 0.910803 0.445623 Cl\n0.283852 0.410803 0.054377 Cl\n0.973828 0.012338 0.139257 Cl\n0.026172 0.512338 0.360743 Cl\n0.026172 0.987662 0.860743 Cl\n0.973828 0.487662 0.639257 Cl\n",
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],
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"formula_full": "B64 P16 H144 Ir8 C64 Cl8",
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},
{
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"structure_string": "V2 Co4 P4 H6 N2 O18\n1.0\n6.238173 0.000000 0.000000\n0.000000 7.736010 0.000000\n0.000000 0.000000 9.849621\nV Co P H N O\n2 4 4 6 2 18\ndirect\n0.000000 0.204881 0.438443 V\n0.000000 0.795119 0.938443 V\n0.243888 0.501150 0.172594 Co\n0.756112 0.498850 0.672594 Co\n0.243888 0.498850 0.672594 Co\n0.756112 0.501150 0.172594 Co\n0.500000 0.329911 0.427096 P\n0.500000 0.670089 0.927096 P\n0.000000 0.169838 0.118475 P\n0.000000 0.830162 0.618475 P\n0.060223 0.705604 0.338752 H\n0.939777 0.294396 0.838752 H\n0.060223 0.294396 0.838752 H\n0.939777 0.705604 0.338752 H\n0.000000 0.389668 0.325518 H\n0.000000 0.610332 0.825519 H\n0.500000 0.990173 0.169373 N\n0.500000 0.009827 0.669373 N\n0.300528 0.214992 0.415219 O\n0.699472 0.785008 0.915219 O\n0.300528 0.785008 0.915219 O\n0.699472 0.214992 0.415219 O\n0.000000 0.089702 0.263117 O\n0.000000 0.910298 0.763117 O\n0.204033 0.277574 0.093775 O\n0.795967 0.722426 0.593775 O\n0.204033 0.722426 0.593775 O\n0.795967 0.277574 0.093775 O\n0.000000 0.013627 0.018497 O\n0.000000 0.986373 0.518497 O\n0.500000 0.590435 0.071051 O\n0.500000 0.409565 0.571051 O\n0.500000 0.469292 0.313211 O\n0.500000 0.530708 0.813211 O\n0.000000 0.647036 0.079238 O\n0.000000 0.352964 0.579238 O\n",
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"formula_full": "V2 Co4 P4 H6 N2 O18",
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},
{
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"structure_string": "Na2 Ca5 Ti1 Si4 O16 F2\n1.0\n-5.809622 0.000000 0.000000\n-0.005923 -7.440916 0.000000\n1.939382 1.875309 9.406853\nNa Ca Ti Si O F\n2 5 1 4 16 2\ndirect\n0.998457 0.499684 0.000865 Na\n0.778504 0.593326 0.366081 Na\n0.509030 0.763871 0.012528 Ca\n0.497338 0.235523 0.990636 Ca\n0.792899 0.088560 0.360701 Ca\n0.208325 0.909164 0.638770 Ca\n0.210567 0.410045 0.634895 Ca\n0.001829 0.999927 0.996769 Ti\n0.250864 0.352556 0.283059 Si\n0.749198 0.646965 0.716213 Si\n0.249967 0.786225 0.278339 Si\n0.746814 0.214474 0.721130 Si\n0.751427 0.031754 0.105632 O\n0.248437 0.967782 0.896000 O\n0.527901 0.845053 0.320753 O\n0.466823 0.163605 0.674068 O\n0.522809 0.326336 0.355906 O\n0.473622 0.664431 0.645887 O\n0.216977 0.559716 0.245008 O\n0.785605 0.441002 0.757908 O\n0.164450 0.828331 0.116234 O\n0.832326 0.168581 0.882278 O\n0.090086 0.870694 0.389450 O\n0.919609 0.139690 0.613881 O\n0.192703 0.221645 0.123101 O\n0.806312 0.780957 0.876053 O\n0.075184 0.327698 0.387763 O\n0.941606 0.665926 0.620554 O\n0.683669 0.518543 0.104912 F\n0.306661 0.477936 0.884623 F\n",
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"formula_full": "Na2 Ca5 Ti1 Si4 O16 F2",
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{
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]
}