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{
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{
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{
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"structure_string": "Ca1 La2 Co2 Sb2 Pb2 O12\n1.0\n5.871939 -0.190103 0.292800\n-0.215810 5.789249 0.049429\n0.416325 0.066173 9.093238\nCa La Co Sb Pb O\n1 2 2 2 2 12\ndirect\n0.152019 0.443228 0.552451 Ca\n0.555892 0.434793 0.799825 La\n0.085655 0.038654 0.246178 La\n0.777956 0.565595 0.423616 Co\n0.524200 0.988516 0.008203 Co\n0.023045 0.499623 0.009069 Sb\n0.523848 0.008425 0.501114 Sb\n0.483007 0.571777 0.215401 Pb\n0.982726 0.948034 0.772854 Pb\n0.720738 0.899678 0.327749 O\n0.130291 0.546605 0.792713 O\n0.348454 0.137004 0.677379 O\n0.954588 0.447216 0.231375 O\n0.257856 0.797627 0.439232 O\n0.752621 0.687999 0.975251 O\n0.783252 0.245898 0.551060 O\n0.293344 0.303896 0.024637 O\n0.369036 0.241597 0.381945 O\n0.809100 0.217603 0.960475 O\n0.638464 0.733499 0.610203 O\n0.214859 0.805235 0.040936 O\n",
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{
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"structure_string": "Mg8 Ti8\n1.0\n4.825116 0.000000 0.000000\n0.000000 5.174035 0.000000\n0.000000 0.000000 12.546538\nMg Ti\n8 8\ndirect\n0.000000 0.676298 0.000000 Mg\n0.000000 0.166808 0.368864 Mg\n0.000000 0.684219 0.500000 Mg\n0.000000 0.166808 0.631136 Mg\n0.500000 0.315781 0.000000 Mg\n0.500000 0.833192 0.131136 Mg\n0.500000 0.323702 0.500000 Mg\n0.500000 0.833192 0.868864 Mg\n0.000000 0.183621 0.139793 Ti\n0.000000 0.656866 0.247580 Ti\n0.000000 0.656866 0.752420 Ti\n0.000000 0.183621 0.860207 Ti\n0.500000 0.343134 0.252420 Ti\n0.500000 0.816379 0.360207 Ti\n0.500000 0.816379 0.639793 Ti\n0.500000 0.343134 0.747580 Ti\n",
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{
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{
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"structure_string": "Sr10 Ca4 Cu10 Bi11 O40\n1.0\n-7.958654 -2.653405 0.000000\n5.305462 -2.652476 -15.870477\n2.652271 -7.958357 0.000000\nSr Ca Cu Bi O\n10 4 10 11 40\ndirect\n0.409389 0.218779 0.790611 Sr\n0.609028 0.216454 0.391042 Sr\n0.808968 0.216441 0.992525 Sr\n0.007473 0.216441 0.591035 Sr\n0.207426 0.216454 0.192505 Sr\n0.392574 0.783546 0.607495 Sr\n0.592527 0.783559 0.208965 Sr\n0.791032 0.783559 0.807475 Sr\n0.990972 0.783546 0.408958 Sr\n0.190611 0.781221 0.009389 Sr\n0.501599 0.000000 0.497803 Ca\n0.702213 0.000000 0.101519 Ca\n0.897787 0.000000 0.698481 Ca\n0.098401 0.000000 0.302197 Ca\n0.049318 0.102291 0.949666 Cu\n0.250328 0.102293 0.547067 Cu\n0.451965 0.102293 0.150640 Cu\n0.652973 0.102291 0.748043 Cu\n0.850577 0.101154 0.349423 Cu\n0.749423 0.898846 0.450577 Cu\n0.947027 0.897709 0.051957 Cu\n0.148035 0.897707 0.649360 Cu\n0.349672 0.897707 0.252933 Cu\n0.550682 0.897709 0.850334 Cu\n0.197554 0.395124 0.802848 Bi\n0.397204 0.395127 0.402458 Bi\n0.597922 0.395127 0.002416 Bi\n0.797570 0.395124 0.602028 Bi\n0.997561 0.395122 0.202439 Bi\n0.602439 0.604878 0.597561 Bi\n0.802430 0.604876 0.197972 Bi\n0.002078 0.604873 0.797584 Bi\n0.202796 0.604873 0.397542 Bi\n0.402446 0.604876 0.997152 Bi\n0.300000 0.000000 0.900000 Bi\n0.132707 0.264292 0.867696 O\n0.332332 0.264295 0.468394 O\n0.531963 0.264295 0.067311 O\n0.731585 0.264292 0.668012 O\n0.932192 0.264385 0.267808 O\n0.667808 0.735615 0.532192 O\n0.868415 0.735708 0.131988 O\n0.068037 0.735705 0.732689 O\n0.267668 0.735705 0.331606 O\n0.467293 0.735708 0.932304 O\n0.496815 0.393631 0.703185 O\n0.697432 0.393666 0.303491 O\n0.896537 0.393681 0.903831 O\n0.097144 0.393681 0.502488 O\n0.296235 0.393666 0.102843 O\n0.303765 0.606334 0.697157 O\n0.502856 0.606319 0.297512 O\n0.703462 0.606319 0.896169 O\n0.902568 0.606334 0.496509 O\n0.103185 0.606369 0.096815 O\n0.251389 0.101626 0.048993 O\n0.450237 0.101626 0.649381 O\n0.651084 0.101389 0.249158 O\n0.850721 0.101442 0.849279 O\n0.050305 0.101389 0.449453 O\n0.649245 0.898584 0.650178 O\n0.849340 0.898584 0.251238 O\n0.049468 0.898362 0.851207 O\n0.249267 0.898534 0.450733 O\n0.448894 0.898362 0.050431 O\n0.549695 0.898611 0.350547 O\n0.749279 0.898558 0.950721 O\n0.948916 0.898611 0.550842 O\n0.149763 0.898374 0.150619 O\n0.348612 0.898374 0.751007 O\n0.151106 0.101638 0.749569 O\n0.350733 0.101466 0.349267 O\n0.550532 0.101638 0.948793 O\n0.750660 0.101416 0.548762 O\n0.950755 0.101416 0.149822 O\n",
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{
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},
{
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"formula_full": "Sc4 Zn4 Cu4",
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},
{
"id": "mp-1197080",
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"structure_string": "Tm4 C24 O36 F36\n1.0\n21.200183 0.000000 0.000000\n0.000000 9.163343 0.000000\n0.000000 2.626249 8.796534\nTm C O F\n4 24 36 36\ndirect\n0.549102 0.502840 0.186458 Tm\n0.049102 0.997160 0.813542 Tm\n0.450898 0.497160 0.813542 Tm\n0.950898 0.002840 0.186458 Tm\n0.660899 0.672792 0.322205 C\n0.160899 0.827208 0.677795 C\n0.339101 0.327208 0.677795 C\n0.839101 0.172792 0.322205 C\n0.408702 0.605748 0.126659 C\n0.908702 0.894252 0.873341 C\n0.591298 0.394252 0.873341 C\n0.091298 0.105748 0.126659 C\n0.540719 0.773291 0.861756 C\n0.040719 0.726709 0.138244 C\n0.459281 0.226709 0.138244 C\n0.959281 0.273291 0.861756 C\n0.655237 0.774948 0.431905 C\n0.155237 0.725052 0.568095 C\n0.344763 0.225052 0.568095 C\n0.844763 0.274948 0.431905 C\n0.344204 0.671766 0.160819 C\n0.844204 0.828234 0.839181 C\n0.655796 0.328234 0.839181 C\n0.155796 0.171766 0.160819 C\n0.570804 0.933210 0.789432 C\n0.070804 0.566790 0.210568 C\n0.429196 0.066790 0.210568 C\n0.929196 0.433210 0.789432 C\n0.609672 0.594870 0.318837 O\n0.109672 0.905130 0.681163 O\n0.390328 0.405130 0.681163 O\n0.890328 0.094870 0.318837 O\n0.708596 0.675502 0.246800 O\n0.208596 0.824498 0.753200 O\n0.291404 0.324498 0.753200 O\n0.791404 0.175502 0.246800 O\n0.452912 0.595015 0.220771 O\n0.952912 0.904985 0.779229 O\n0.547088 0.404985 0.779229 O\n0.047088 0.095015 0.220771 O\n0.587829 0.429450 0.996620 O\n0.087829 0.070550 0.003380 O\n0.412171 0.570550 0.003380 O\n0.912171 0.929450 0.996620 O\n0.552316 0.717283 0.001990 O\n0.052316 0.782717 0.998010 O\n0.447684 0.282717 0.998010 O\n0.947684 0.217283 0.001990 O\n0.492067 0.284826 0.221788 O\n0.992067 0.215174 0.778212 O\n0.507933 0.715174 0.778212 O\n0.007933 0.784826 0.221788 O\n0.686154 0.319358 0.209513 O\n0.186154 0.180642 0.790487 O\n0.313846 0.680642 0.790487 O\n0.813846 0.819358 0.209513 O\n0.640232 0.288813 0.296476 O\n0.140232 0.211187 0.703524 O\n0.359768 0.711187 0.703524 O\n0.859768 0.788813 0.296476 O\n0.512799 0.447035 0.482325 O\n0.012799 0.052965 0.517675 O\n0.487201 0.552965 0.517675 O\n0.987201 0.947035 0.482325 O\n0.629031 0.698105 0.568838 F\n0.129031 0.801895 0.431162 F\n0.370969 0.301895 0.431162 F\n0.870969 0.198105 0.568838 F\n0.711505 0.829715 0.460723 F\n0.211505 0.670285 0.539277 F\n0.288495 0.170285 0.539277 F\n0.788495 0.329715 0.460723 F\n0.616781 0.895829 0.366709 F\n0.116781 0.604171 0.633291 F\n0.383219 0.104171 0.633291 F\n0.883219 0.395829 0.366709 F\n0.295747 0.580489 0.146519 F\n0.795747 0.919511 0.853481 F\n0.704253 0.419511 0.853481 F\n0.204253 0.080489 0.146519 F\n0.342695 0.687845 0.302625 F\n0.842695 0.812155 0.697375 F\n0.657305 0.312155 0.697375 F\n0.157305 0.187845 0.302625 F\n0.335654 0.810579 0.058579 F\n0.835654 0.689421 0.941421 F\n0.664346 0.189421 0.941421 F\n0.164346 0.310579 0.058579 F\n0.548385 0.031687 0.864100 F\n0.048385 0.468313 0.135900 F\n0.451615 0.968313 0.135900 F\n0.951615 0.531687 0.864100 F\n0.634411 0.925439 0.805576 F\n0.134411 0.574561 0.194424 F\n0.365589 0.074561 0.194424 F\n0.865589 0.425439 0.805576 F\n0.557007 0.990262 0.640480 F\n0.057007 0.509738 0.359520 F\n0.442993 0.009738 0.359520 F\n0.942993 0.490262 0.640480 F\n",
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}
]
}