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{
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{
"id": "mp-624009",
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"structure_string": "Fe4 Te2 W2 C20 Se2 O20\n1.0\n6.956457 0.000000 0.000000\n0.777395 9.537824 0.000000\n1.892233 1.882079 13.575142\nFe Te W C Se O\n4 2 2 20 2 20\ndirect\n0.280977 0.999729 0.271131 Fe\n0.646700 0.668777 0.634468 Fe\n0.353300 0.331223 0.365532 Fe\n0.719023 0.000271 0.728869 Fe\n0.431211 0.885760 0.680741 Te\n0.568789 0.114240 0.319259 Te\n0.394251 0.272352 0.164709 W\n0.605749 0.727648 0.835291 W\n0.214440 0.246063 0.062885 C\n0.446450 0.864818 0.221252 C\n0.725155 0.524356 0.865223 C\n0.298787 0.258763 0.490533 C\n0.635635 0.388876 0.135746 C\n0.364365 0.611124 0.864254 C\n0.792442 0.503993 0.637205 C\n0.569736 0.416327 0.375476 C\n0.785560 0.753937 0.937115 C\n0.553550 0.135182 0.778748 C\n0.207558 0.496007 0.362795 C\n0.086270 0.951943 0.210199 C\n0.425847 0.843809 0.928915 C\n0.574153 0.156191 0.071085 C\n0.274845 0.475644 0.134777 C\n0.701213 0.741237 0.509467 C\n0.221121 0.909600 0.391066 C\n0.913730 0.048057 0.789801 C\n0.430264 0.583673 0.624524 C\n0.778879 0.090400 0.608934 C\n0.103227 0.220479 0.302096 Se\n0.896773 0.779521 0.697904 Se\n0.707385 0.470753 0.385133 O\n0.324926 0.907441 0.983151 O\n0.675074 0.092559 0.016849 O\n0.112037 0.230623 0.006473 O\n0.117014 0.603034 0.362735 O\n0.548379 0.774609 0.191540 O\n0.228250 0.544731 0.880146 O\n0.961236 0.918700 0.173191 O\n0.292615 0.529247 0.614867 O\n0.734034 0.789590 0.427427 O\n0.211324 0.590994 0.116391 O\n0.887963 0.769377 0.993527 O\n0.038764 0.081300 0.826809 O\n0.771750 0.455269 0.119854 O\n0.815821 0.148506 0.529518 O\n0.184179 0.851494 0.470482 O\n0.451621 0.225391 0.808460 O\n0.265966 0.210410 0.572573 O\n0.788676 0.409006 0.883609 O\n0.882986 0.396966 0.637265 O\n",
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},
{
"id": "mp-1196668",
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"structure_string": "Ce2 P8 H100 C24 Cl6 O22\n1.0\n10.540767 -0.066548 1.377752\n2.592295 10.355965 3.775536\n-0.010185 -0.086665 16.147112\nCe P H C Cl O\n2 8 100 24 6 22\ndirect\n0.825725 0.552526 0.762166 Ce\n0.174275 0.447474 0.237834 Ce\n0.542411 0.467062 0.692574 P\n0.457589 0.532938 0.307426 P\n0.863667 0.719177 0.919794 P\n0.136333 0.280823 0.080206 P\n0.780921 0.869903 0.571760 P\n0.219079 0.130097 0.428240 P\n0.025390 0.217955 0.779055 P\n0.974610 0.782045 0.220945 P\n0.539671 0.628212 0.553849 H\n0.460329 0.371788 0.446151 H\n0.377913 0.609651 0.593697 H\n0.622087 0.390349 0.406303 H\n0.456967 0.695268 0.638860 H\n0.543033 0.304732 0.361140 H\n0.468799 0.353512 0.835663 H\n0.531201 0.646488 0.164337 H\n0.417593 0.524413 0.814742 H\n0.582407 0.475587 0.185258 H\n0.335338 0.446958 0.765454 H\n0.664662 0.553042 0.234546 H\n0.583722 0.246533 0.695922 H\n0.416278 0.753467 0.304078 H\n0.446792 0.346358 0.631662 H\n0.553208 0.653642 0.368338 H\n0.610630 0.351718 0.587911 H\n0.389370 0.648282 0.412089 H\n0.724827 0.884038 0.812754 H\n0.275173 0.115962 0.187246 H\n0.800345 0.949815 0.874685 H\n0.199655 0.050185 0.125315 H\n0.894039 0.888178 0.789934 H\n0.105961 0.111822 0.210066 H\n0.089253 0.719623 0.910421 H\n0.910747 0.280377 0.089579 H\n0.000256 0.791525 0.990757 H\n0.999744 0.208475 0.009243 H\n0.040905 0.620523 0.016007 H\n0.959095 0.379477 0.983993 H\n0.648343 0.713407 0.985892 H\n0.351657 0.286593 0.014108 H\n0.774415 0.618155 0.061261 H\n0.225585 0.381845 0.938739 H\n0.731585 0.790201 0.034469 H\n0.268415 0.209799 0.965531 H\n0.795802 0.048412 0.616712 H\n0.204198 0.951588 0.383288 H\n0.731946 0.100488 0.509946 H\n0.268054 0.899512 0.490054 H\n0.630369 0.047160 0.606602 H\n0.369631 0.952840 0.393398 H\n0.008857 0.866410 0.552909 H\n0.991143 0.133590 0.447091 H\n0.970583 0.761410 0.503763 H\n0.029417 0.238590 0.496237 H\n0.928622 0.932679 0.450050 H\n0.071378 0.067321 0.549950 H\n0.570778 0.870450 0.533919 H\n0.429222 0.129550 0.466081 H\n0.667222 0.935603 0.438389 H\n0.332778 0.064397 0.561611 H\n0.698474 0.764924 0.490215 H\n0.301526 0.235076 0.509785 H\n0.962515 0.071195 0.913026 H\n0.037484 0.928805 0.086974 H\n0.088901 0.992188 0.849788 H\n0.911099 0.007812 0.150212 H\n0.129959 0.078733 0.912737 H\n0.870041 0.921267 0.087263 H\n0.823638 0.185338 0.752030 H\n0.176362 0.814662 0.247970 H\n0.900847 0.267126 0.652409 H\n0.099153 0.732874 0.347591 H\n0.961999 0.096284 0.702874 H\n0.038001 0.903716 0.297126 H\n0.170481 0.301915 0.659947 H\n0.829519 0.698085 0.340053 H\n0.252778 0.216034 0.760525 H\n0.747222 0.783966 0.239475 H\n0.209291 0.127808 0.699544 H\n0.790709 0.872192 0.300456 H\n0.699820 0.333014 0.906918 H\n0.300180 0.666986 0.093082 H\n0.713295 0.416851 0.962616 H\n0.286705 0.583149 0.037384 H\n0.111193 0.582965 0.665777 H\n0.888807 0.417035 0.334223 H\n0.092751 0.673046 0.724756 H\n0.907249 0.326954 0.275244 H\n0.999561 0.525440 0.586348 H\n0.000439 0.474560 0.413652 H\n0.864306 0.505593 0.569022 H\n0.135694 0.494407 0.430978 H\n0.567418 0.782687 0.761941 H\n0.432582 0.217313 0.238059 H\n0.532940 0.672271 0.841821 H\n0.467060 0.327729 0.158179 H\n0.304977 0.750004 0.846830 H\n0.695023 0.249996 0.153170 H\n0.354282 0.764540 0.930318 H\n0.645718 0.235460 0.069682 H\n0.379865 0.916917 0.725083 H\n0.620135 0.083083 0.274917 H\n0.459020 0.975020 0.772253 H\n0.540980 0.024980 0.227747 H\n0.580578 0.018546 0.079298 H\n0.419422 0.981454 0.920702 H\n0.476087 0.937386 0.112989 H\n0.523913 0.062614 0.887011 H\n0.472003 0.615197 0.611766 C\n0.527997 0.384803 0.388234 C\n0.430036 0.446009 0.786451 C\n0.569964 0.553991 0.213549 C\n0.546295 0.340136 0.647564 C\n0.453705 0.659864 0.352436 C\n0.815938 0.876083 0.841425 C\n0.184062 0.123917 0.158575 C\n0.013098 0.712004 0.963479 C\n0.986902 0.287996 0.036521 C\n0.742668 0.709028 0.008930 C\n0.257332 0.290972 0.991070 C\n0.729777 0.032645 0.576593 C\n0.270223 0.967355 0.423407 C\n0.937588 0.856378 0.513669 C\n0.062412 0.143622 0.486331 C\n0.668592 0.859078 0.501557 C\n0.331408 0.140922 0.498443 C\n0.054169 0.076642 0.873413 C\n0.945831 0.923358 0.126587 C\n0.917177 0.189004 0.714666 C\n0.082823 0.810996 0.285334 C\n0.179312 0.216516 0.718330 C\n0.820688 0.783484 0.281670 C\n0.337211 0.865075 0.041354 Cl\n0.662789 0.134925 0.958646 Cl\n0.191844 0.529047 0.544354 Cl\n0.808156 0.470953 0.455646 Cl\n0.193496 0.844854 0.726895 Cl\n0.806504 0.155146 0.273105 Cl\n0.678831 0.463867 0.714400 O\n0.321169 0.536133 0.285600 O\n0.880862 0.610522 0.879748 O\n0.119138 0.389478 0.120252 O\n0.782608 0.771606 0.662394 O\n0.217392 0.228394 0.337606 O\n0.969975 0.341496 0.803436 O\n0.030025 0.658504 0.196564 O\n0.712194 0.418835 0.901841 O\n0.287806 0.581165 0.098158 O\n0.064175 0.600310 0.719196 O\n0.935825 0.399690 0.280804 O\n0.909028 0.524810 0.611458 O\n0.090972 0.475190 0.388542 O\n0.603417 0.691613 0.797098 O\n0.396583 0.308387 0.202902 O\n0.361074 0.702785 0.897794 O\n0.638926 0.297215 0.102206 O\n0.464206 0.939258 0.723031 O\n0.535794 0.060742 0.276969 O\n0.543128 0.965304 0.133724 O\n0.456872 0.034696 0.866276 O\n",
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{
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"structure_string": "Ba1 Mg1 Al3 P2 H2 O14\n1.0\n5.315890 3.426052 -3.468237\n-5.315891 3.426047 3.468236\n0.200307 -0.000001 7.234829\nBa Mg Al P H O\n1 1 3 2 2 14\ndirect\n0.012547 0.987453 0.004702 Ba\n0.525136 0.474865 0.345558 Mg\n0.014014 0.985986 0.458750 Al\n0.485424 0.010766 0.487420 Al\n0.989234 0.514576 0.487420 Al\n0.283125 0.716876 0.865207 P\n0.724536 0.275464 0.100018 P\n0.293353 0.706647 0.302345 H\n0.702304 0.297695 0.698150 H\n0.352378 0.647622 0.113214 O\n0.643274 0.356725 0.855278 O\n0.140513 0.859488 0.766963 O\n0.863865 0.136135 0.177282 O\n0.135741 0.497414 0.782535 O\n0.502587 0.864259 0.782535 O\n0.515600 0.124000 0.202303 O\n0.875998 0.484399 0.202303 O\n0.281320 0.718680 0.426679 O\n0.712945 0.287054 0.567673 O\n0.803231 0.989525 0.562888 O\n0.010474 0.196770 0.562888 O\n0.865720 0.720517 0.387694 O\n0.279483 0.134280 0.387694 O\n",
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{
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{
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{
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{
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"structure_string": "Na6 Co4 Cu2 H16 S8 O34\n1.0\n-7.462481 0.000000 1.423751\n0.076417 0.000000 -7.891865\n0.000000 -14.338538 0.000000\nNa Co Cu H S O\n6 4 2 16 8 34\ndirect\n0.617832 0.290780 0.749230 Na\n0.382168 0.709220 0.249230 Na\n0.057112 0.324460 0.606981 Na\n0.942888 0.675540 0.106981 Na\n0.969197 0.688644 0.401461 Na\n0.030803 0.311356 0.901461 Na\n0.265082 0.840485 0.613448 Co\n0.734918 0.159515 0.113448 Co\n0.736022 0.160376 0.387595 Co\n0.263978 0.839624 0.887595 Co\n0.787891 0.774479 0.749534 Cu\n0.212109 0.225521 0.249534 Cu\n0.541265 0.698311 0.538613 H\n0.458735 0.301689 0.038613 H\n0.459771 0.301905 0.461480 H\n0.540229 0.698095 0.961480 H\n0.352741 0.626682 0.486808 H\n0.647259 0.373318 0.986808 H\n0.648231 0.373554 0.513089 H\n0.351769 0.626446 0.013089 H\n0.804044 0.940092 0.519760 H\n0.195956 0.059908 0.019760 H\n0.194626 0.059634 0.479847 H\n0.805374 0.940366 0.979847 H\n0.685591 0.055527 0.566673 H\n0.314409 0.944473 0.066673 H\n0.314904 0.944917 0.433807 H\n0.685096 0.055083 0.933807 H\n0.843542 0.634847 0.617098 S\n0.156458 0.365153 0.117098 S\n0.156137 0.364669 0.381708 S\n0.843863 0.635331 0.881708 S\n0.009019 0.022171 0.750627 S\n0.990981 0.977829 0.250627 S\n0.538383 0.894456 0.750295 S\n0.461617 0.105544 0.250295 S\n0.531046 0.005491 0.663341 O\n0.468954 0.994509 0.163341 O\n0.467919 0.993208 0.336764 O\n0.532081 0.006792 0.836764 O\n0.775327 0.716358 0.530663 O\n0.224673 0.283642 0.030663 O\n0.222813 0.282440 0.468070 O\n0.777187 0.717560 0.968070 O\n0.933256 0.184471 0.750875 O\n0.066744 0.815529 0.250875 O\n0.125213 0.027800 0.663890 O\n0.874787 0.972200 0.163890 O\n0.874038 0.971217 0.337120 O\n0.125962 0.028783 0.837120 O\n0.757036 0.444497 0.616750 O\n0.242964 0.555503 0.116750 O\n0.246281 0.554584 0.381906 O\n0.753719 0.445416 0.881906 O\n0.408969 0.686161 0.543751 O\n0.591031 0.313839 0.043751 O\n0.592217 0.319854 0.454544 O\n0.407783 0.680146 0.954544 O\n0.043185 0.638910 0.599594 O\n0.956815 0.361090 0.099594 O\n0.957067 0.364620 0.398175 O\n0.042933 0.635380 0.898175 O\n0.781815 0.060633 0.519483 O\n0.218185 0.939367 0.019483 O\n0.216894 0.938967 0.480120 O\n0.783106 0.061033 0.980120 O\n0.349403 0.774963 0.750679 O\n0.650597 0.225037 0.250679 O\n0.336494 0.375757 0.706722 O\n0.663506 0.624243 0.206722 O\n",
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}