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{
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{
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"structure_string": "Li4 Bi2 P6 O20\n1.0\n9.003535 0.000000 0.000000\n0.000000 5.109370 0.000000\n0.000000 1.501833 10.154817\nLi Bi P O\n4 2 6 20\ndirect\n0.076763 0.175700 0.422580 Li\n0.423237 0.175700 0.422580 Li\n0.576763 0.824300 0.577420 Li\n0.923237 0.824300 0.577420 Li\n0.000000 0.000000 0.000000 Bi\n0.500000 0.000000 0.000000 Bi\n0.250000 0.321209 0.786543 P\n0.750000 0.361044 0.499318 P\n0.750000 0.516836 0.943859 P\n0.250000 0.483164 0.056141 P\n0.250000 0.638956 0.500682 P\n0.750000 0.678791 0.213457 P\n0.108466 0.156950 0.800666 O\n0.391534 0.156950 0.800666 O\n0.750000 0.219125 0.925271 O\n0.607653 0.201121 0.518559 O\n0.892347 0.201121 0.518559 O\n0.250000 0.387629 0.436601 O\n0.106490 0.341959 0.104655 O\n0.393510 0.341959 0.104655 O\n0.250000 0.517376 0.895947 O\n0.750000 0.466593 0.336832 O\n0.250000 0.533407 0.663168 O\n0.750000 0.482624 0.104053 O\n0.893510 0.658041 0.895345 O\n0.606490 0.658041 0.895345 O\n0.750000 0.612371 0.563399 O\n0.107653 0.798879 0.481441 O\n0.392347 0.798879 0.481441 O\n0.250000 0.780875 0.074729 O\n0.608466 0.843050 0.199334 O\n0.891534 0.843050 0.199334 O\n",
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{
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"structure_string": "Na42 Zn2 S20 Cl6 O80\n1.0\n13.436543 -0.248175 -5.010380\n-6.994029 12.159436 -5.140567\n-0.002963 -0.175556 15.007996\nNa Zn S Cl O\n42 2 20 6 80\ndirect\n0.237856 0.023086 0.035723 Na\n0.132274 0.604373 0.727888 Na\n0.075178 0.046932 0.847702 Na\n0.980595 0.488565 0.229374 Na\n0.048501 0.761712 0.046945 Na\n0.251208 0.781319 0.283304 Na\n0.371882 0.619943 0.511827 Na\n0.488905 0.751740 0.914546 Na\n0.252770 0.228830 0.764641 Na\n0.272989 0.487059 0.205569 Na\n0.251541 0.223579 0.353198 Na\n0.421537 0.410835 0.754441 Na\n0.231250 0.999003 0.472308 Na\n0.514273 0.763387 0.460181 Na\n0.711503 0.988248 0.772532 Na\n0.255845 0.470757 0.955775 Na\n0.535427 0.225239 0.776634 Na\n0.767490 0.694725 0.973065 Na\n0.493420 0.978393 0.795114 Na\n0.700599 0.723208 0.646915 Na\n0.682329 0.963864 0.445142 Na\n0.549661 0.235056 0.534359 Na\n0.533549 0.541707 0.277991 Na\n0.265948 0.855521 0.846032 Na\n0.504692 0.522253 0.652777 Na\n0.459109 0.975430 0.282139 Na\n0.475437 0.354346 0.049801 Na\n0.795000 0.816183 0.305382 Na\n0.741016 0.521010 0.548744 Na\n0.790777 0.274584 0.754948 Na\n0.780689 0.369871 0.385935 Na\n0.083627 0.146091 0.089392 Na\n0.557695 0.675441 0.084981 Na\n0.148430 0.482065 0.484026 Na\n0.963994 0.268791 0.004672 Na\n0.961778 0.534488 0.810248 Na\n0.001248 0.967906 0.224624 Na\n0.758118 0.220018 0.171387 Na\n0.917975 0.001917 0.618375 Na\n0.487510 0.151207 0.998019 Na\n0.848249 0.492735 0.009694 Na\n0.757754 0.993908 0.022544 Na\n0.013426 0.802496 0.494136 Zn\n0.979111 0.282476 0.554205 Zn\n0.001066 0.576947 0.503121 S\n0.242547 0.989159 0.729545 S\n0.997370 0.071904 0.488943 S\n0.247285 0.473201 0.731439 S\n0.005824 0.220513 0.239898 S\n0.065207 0.505967 0.022872 S\n0.529868 0.772250 0.742311 S\n0.483822 0.989194 0.062102 S\n0.435413 0.455661 0.421524 S\n0.465219 0.727771 0.225849 S\n0.246975 0.286432 0.015591 S\n0.271044 0.025294 0.269686 S\n0.923571 0.903913 0.931462 S\n0.527338 0.013949 0.576940 S\n0.721844 0.230476 0.958088 S\n0.748438 0.508111 0.779674 S\n0.779173 0.751052 0.491687 S\n0.582802 0.486799 0.978611 S\n0.762715 0.233023 0.489851 S\n0.989623 0.742084 0.263466 S\n0.113025 0.738865 0.878472 Cl\n0.224546 0.609606 0.349903 Cl\n0.386209 0.235210 0.598405 Cl\n0.719518 0.842666 0.100549 Cl\n0.615216 0.340369 0.209918 Cl\n0.905917 0.113407 0.787116 Cl\n0.042058 0.975928 0.953131 O\n0.162732 0.969380 0.771349 O\n0.171840 0.934982 0.602442 O\n0.116381 0.432425 0.664230 O\n0.118359 0.807881 0.335646 O\n0.126670 0.626566 0.585389 O\n0.312701 0.937785 0.756204 O\n0.012918 0.175415 0.484769 O\n0.431786 0.869233 0.976430 O\n0.071585 0.106456 0.607127 O\n0.301375 0.591098 0.820566 O\n0.206544 0.274948 0.903629 O\n0.068873 0.310250 0.358409 O\n0.261903 0.404922 0.781179 O\n0.241208 0.906572 0.206407 O\n0.024026 0.267771 0.170284 O\n0.095999 0.624574 0.071526 O\n0.996663 0.450911 0.063487 O\n0.291956 0.462702 0.655705 O\n0.028178 0.013048 0.413704 O\n0.410331 0.951824 0.474785 O\n0.403719 0.732037 0.686107 O\n0.052761 0.143020 0.230283 O\n0.597523 0.890919 0.837885 O\n0.170492 0.497090 0.054900 O\n0.321671 0.110400 0.779979 O\n0.553996 0.700614 0.783573 O\n0.480128 0.367136 0.894810 O\n0.566111 0.558352 0.932023 O\n0.423136 0.803130 0.265340 O\n0.156620 0.276386 0.044951 O\n0.591419 0.952470 0.561024 O\n0.364357 0.455696 0.476245 O\n0.205483 0.034502 0.327945 O\n0.566457 0.767832 0.657990 O\n0.368553 0.349369 0.313348 O\n0.461743 0.553666 0.405577 O\n0.450273 0.653859 0.272902 O\n0.237758 0.064851 0.192182 O\n0.354746 0.400643 0.101572 O\n0.402694 0.657637 0.101511 O\n0.661587 0.542619 0.774039 O\n0.595121 0.179780 0.920302 O\n0.592741 0.797843 0.270465 O\n0.274074 0.197188 0.011655 O\n0.547871 0.474248 0.502568 O\n0.733633 0.823047 0.534521 O\n0.398907 0.097210 0.353033 O\n0.518852 0.025940 0.676391 O\n0.849161 0.808197 0.814730 O\n0.598451 0.129037 0.602222 O\n0.696669 0.387048 0.741189 O\n0.764238 0.671039 0.529231 O\n0.849192 0.578106 0.899762 O\n0.742732 0.284702 0.894933 O\n0.722094 0.692653 0.368858 O\n0.580994 0.529078 0.084208 O\n0.794507 0.529036 0.709601 O\n0.750247 0.140198 0.933236 O\n0.872629 0.999379 0.451805 O\n0.390240 0.017439 0.024558 O\n0.704196 0.297601 0.491023 O\n0.908634 0.832617 0.545548 O\n0.523050 0.010705 0.175207 O\n0.681981 0.113459 0.435734 O\n0.690595 0.489089 0.997591 O\n0.861015 0.279750 0.608764 O\n0.990940 0.442950 0.896603 O\n0.942347 0.772846 0.340312 O\n0.581941 0.060838 0.057073 O\n0.874243 0.977835 0.952079 O\n0.930557 0.539411 0.550478 O\n0.830507 0.254301 0.432385 O\n0.981653 0.658835 0.478180 O\n0.962908 0.477299 0.396145 O\n0.937976 0.864271 0.011502 O\n0.947293 0.772788 0.179536 O\n0.795045 0.314168 0.081179 O\n0.944476 0.620907 0.207622 O\n0.878934 0.154841 0.195322 O\n",
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},
{
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"structure_string": "Lu16 Se24\n1.0\n-4.288448 4.288448 12.849429\n4.288448 -4.288448 12.849429\n4.288448 4.288448 -12.849429\nLu Se\n16 24\ndirect\n0.172993 0.299740 0.392843 Lu\n0.581540 0.081540 0.500000 Lu\n0.375000 0.741198 0.866198 Lu\n0.168460 0.168460 0.000000 Lu\n0.843103 0.950260 0.373254 Lu\n0.577007 0.469849 0.626746 Lu\n0.875000 0.508802 0.133802 Lu\n0.049740 0.422993 0.892843 Lu\n0.831540 0.831540 0.000000 Lu\n0.491198 0.625000 0.366198 Lu\n0.258802 0.125000 0.633802 Lu\n0.530151 0.156897 0.107157 Lu\n0.918460 0.418460 0.500000 Lu\n0.700260 0.093103 0.873254 Lu\n0.906897 0.780151 0.607157 Lu\n0.219849 0.827007 0.126746 Lu\n0.537240 0.420494 0.748236 Se\n0.245872 0.000559 0.117026 Se\n0.883533 0.128846 0.882974 Se\n0.504128 0.121154 0.254687 Se\n0.866467 0.249441 0.745313 Se\n0.212760 0.460997 0.383254 Se\n0.672258 0.789003 0.251764 Se\n0.077742 0.829506 0.616746 Se\n0.188875 0.091382 0.743821 Se\n0.908618 0.652439 0.097493 Se\n0.554946 0.811125 0.902507 Se\n0.170494 0.787240 0.248236 Se\n0.539003 0.922258 0.751764 Se\n0.347561 0.445054 0.256179 Se\n0.878846 0.133533 0.382974 Se\n0.750559 0.495872 0.617026 Se\n0.871154 0.754128 0.754687 Se\n0.579506 0.327742 0.116746 Se\n0.210997 0.462760 0.883254 Se\n0.841382 0.438875 0.243821 Se\n0.195054 0.597561 0.756179 Se\n0.999441 0.116467 0.245313 Se\n0.561125 0.804946 0.402507 Se\n0.402439 0.158618 0.597493 Se\n",
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{
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{
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"structure_string": "Ag3 P11\n1.0\n3.825861 6.547525 0.000000\n-3.825861 6.547525 0.000000\n0.000000 3.206214 5.861652\nAg P\n3 11\ndirect\n0.291331 0.291331 0.974168 Ag\n0.589547 0.589547 0.196403 Ag\n0.999310 0.999310 0.997626 Ag\n0.811111 0.811111 0.954282 P\n0.492395 0.492395 0.944936 P\n0.081933 0.081933 0.273669 P\n0.264819 0.775563 0.469260 P\n0.775563 0.264819 0.469260 P\n0.614054 0.910531 0.497407 P\n0.910531 0.614054 0.497407 P\n0.610049 0.055299 0.728826 P\n0.055299 0.610049 0.728826 P\n0.351233 0.808826 0.733765 P\n0.808826 0.351233 0.733765 P\n",
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{
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"structure_string": "La6 Sc2 O12\n1.0\n4.814290 -5.010848 0.000000\n4.814290 5.010848 0.000000\n-0.401142 0.000000 6.937223\nLa Sc O\n6 2 12\ndirect\n0.439710 0.746270 0.932114 La\n0.253730 0.067886 0.560290 La\n0.067886 0.560290 0.253730 La\n0.932114 0.439710 0.746270 La\n0.746270 0.932114 0.439710 La\n0.560290 0.253730 0.067886 La\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.078941 0.702373 0.935818 O\n0.297627 0.064182 0.921059 O\n0.203490 0.412265 0.539448 O\n0.064182 0.921059 0.297627 O\n0.587735 0.460552 0.796510 O\n0.460552 0.796510 0.587735 O\n0.539448 0.203490 0.412265 O\n0.412265 0.539448 0.203490 O\n0.935818 0.078941 0.702373 O\n0.796510 0.587735 0.460552 O\n0.702373 0.935818 0.078941 O\n0.921059 0.297627 0.064182 O\n",
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}
]
}