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{
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{
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{
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"structure_string": "Ce1 Mo12 N2 O54\n1.0\n8.275991 -6.524341 0.000000\n8.275991 6.524341 0.000000\n3.132555 0.000000 10.062115\nCe Mo N O\n1 12 2 54\ndirect\n0.000000 0.000000 0.000000 Ce\n0.069881 0.148797 0.655539 Mo\n0.655539 0.069881 0.148797 Mo\n0.148797 0.655539 0.069881 Mo\n0.930119 0.851203 0.344461 Mo\n0.344461 0.930119 0.851203 Mo\n0.851203 0.344461 0.930119 Mo\n0.063711 0.832524 0.719484 Mo\n0.719484 0.063711 0.832524 Mo\n0.832524 0.719484 0.063711 Mo\n0.936289 0.167476 0.280516 Mo\n0.280516 0.936289 0.167476 Mo\n0.167476 0.280516 0.936289 Mo\n0.638175 0.638175 0.638175 N\n0.361825 0.361825 0.361825 N\n0.209928 0.214871 0.573862 O\n0.573862 0.209928 0.214871 O\n0.214871 0.573862 0.209928 O\n0.790072 0.785129 0.426138 O\n0.426138 0.790072 0.785129 O\n0.785129 0.426138 0.790072 O\n0.172711 0.969663 0.792132 O\n0.792132 0.172711 0.969663 O\n0.969663 0.792132 0.172711 O\n0.827289 0.030337 0.207868 O\n0.207868 0.827289 0.030337 O\n0.030337 0.207868 0.827289 O\n0.939007 0.255091 0.581829 O\n0.581829 0.939007 0.255091 O\n0.255091 0.581829 0.939007 O\n0.060993 0.744909 0.418171 O\n0.418171 0.060993 0.744909 O\n0.744909 0.418171 0.060993 O\n0.913364 0.024562 0.787513 O\n0.787513 0.913364 0.024562 O\n0.024562 0.787513 0.913364 O\n0.086636 0.975438 0.212487 O\n0.212487 0.086636 0.975438 O\n0.975438 0.212487 0.086636 O\n0.092441 0.991276 0.579996 O\n0.579996 0.092441 0.991276 O\n0.991276 0.579996 0.092441 O\n0.907559 0.008724 0.420004 O\n0.420004 0.907559 0.008724 O\n0.008724 0.420004 0.907559 O\n0.206044 0.720302 0.670486 O\n0.670486 0.206044 0.720302 O\n0.720302 0.670486 0.206044 O\n0.793956 0.279698 0.329514 O\n0.329514 0.793956 0.279698 O\n0.279698 0.329514 0.793956 O\n0.939633 0.777054 0.676532 O\n0.676532 0.939633 0.777054 O\n0.777054 0.676532 0.939633 O\n0.060367 0.222946 0.323468 O\n0.323468 0.060367 0.222946 O\n0.222946 0.323468 0.060367 O\n0.486188 0.887737 0.463699 O\n0.463699 0.486188 0.887737 O\n0.887737 0.463699 0.486188 O\n0.513812 0.112263 0.536301 O\n0.536301 0.513812 0.112263 O\n0.112263 0.536301 0.513812 O\n0.490376 0.499326 0.769368 O\n0.769368 0.490376 0.499326 O\n0.499326 0.769368 0.490376 O\n0.509624 0.500674 0.230632 O\n0.230632 0.509624 0.500674 O\n0.500674 0.230632 0.509624 O\n",
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"structure_string": "Mg14 Cr1 B1 O16\n1.0\n8.522323 0.000000 -0.000000\n0.000000 8.554973 0.000000\n0.000000 0.000000 4.247928\nMg Cr B O\n14 1 1 16\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n-0.000000 0.256034 0.500000 Mg\n-0.000000 0.743966 0.500000 Mg\n0.500000 0.251240 0.500000 Mg\n0.500000 0.748760 0.500000 Mg\n0.250311 0.000000 0.500000 Mg\n0.247421 0.500000 0.500000 Mg\n0.749689 0.000000 0.500000 Mg\n0.752579 0.500000 0.500000 Mg\n0.248158 0.255082 -0.000000 Mg\n0.248158 0.744918 -0.000000 Mg\n0.751842 0.255082 0.000000 Mg\n0.751842 0.744918 -0.000000 Mg\n-0.000000 0.000000 -0.000000 Cr\n-0.000000 0.500000 -0.000000 B\n0.246238 0.000000 -0.000000 O\n0.257829 0.500000 -0.000000 O\n0.753762 0.000000 0.000000 O\n0.742171 0.500000 -0.000000 O\n0.248739 0.249936 0.500000 O\n0.248739 0.750064 0.500000 O\n0.751261 0.249936 0.500000 O\n0.751261 0.750064 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.245010 -0.000000 O\n-0.000000 0.754990 -0.000000 O\n0.500000 0.247060 -0.000000 O\n0.500000 0.752940 0.000000 O\n",
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{
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{
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"structure_string": "Li19 La12 Zr8 O48\n1.0\n-6.642642 6.642642 6.404210\n6.642642 -6.642642 6.404210\n6.642642 6.642642 -6.404210\nLi La Zr O\n19 12 8 48\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Li\n0.839273 0.097636 0.086120 Li\n0.339669 0.251364 0.740369 Li\n0.848183 0.091401 0.586489 Li\n0.344691 0.761525 0.745112 Li\n0.400421 0.655309 0.416834 Li\n0.908599 0.495088 0.756782 Li\n0.400700 0.660331 0.911695 Li\n0.902364 0.988484 0.741636 Li\n0.510995 0.599300 0.259631 Li\n0.011516 0.753153 0.913880 Li\n0.016413 0.599579 0.254888 Li\n0.504912 0.261694 0.413511 Li\n0.738306 0.151817 0.243218 Li\n0.238475 0.983587 0.583166 Li\n0.246847 0.160727 0.258364 Li\n0.748636 0.489005 0.088305 Li\n0.252302 0.252302 0.000000 La\n0.747698 0.747698 0.000000 La\n0.000860 0.500860 0.500000 La\n0.499140 0.999140 0.500000 La\n0.237017 0.621963 0.109373 La\n0.736709 0.622764 0.609968 La\n0.378037 0.487409 0.615053 La\n0.873259 0.263291 0.886055 La\n0.012796 0.126741 0.390032 La\n0.512591 0.127644 0.890627 La\n0.377236 0.987204 0.113945 La\n0.872356 0.762983 0.384947 La\n0.123662 0.371925 0.243942 Zr\n0.625536 0.375113 0.749882 Zr\n0.124346 0.374464 0.749578 Zr\n0.628075 0.872016 0.751737 Zr\n0.625232 0.875654 0.250118 Zr\n0.127984 0.879720 0.756058 Zr\n0.120280 0.876338 0.248263 Zr\n0.624887 0.374768 0.250422 Zr\n0.305696 0.473161 0.218720 O\n0.807118 0.587332 0.832339 O\n0.222999 0.555705 0.718772 O\n0.723360 0.003580 0.666796 O\n0.943436 0.276640 0.280220 O\n0.444295 0.163067 0.667294 O\n0.025221 0.192882 0.780214 O\n0.526839 0.745559 0.832535 O\n0.754993 0.974779 0.167661 O\n0.254441 0.086976 0.781280 O\n0.336783 0.056564 0.333204 O\n0.836933 0.504227 0.281228 O\n0.495773 0.777001 0.332706 O\n0.996420 0.663217 0.719780 O\n0.913024 0.694304 0.167465 O\n0.412668 0.245007 0.219786 O\n0.606428 0.056907 0.342823 O\n0.101207 0.761166 0.549365 O\n0.808607 0.857346 0.842779 O\n0.306064 0.462423 0.949951 O\n0.643887 0.693936 0.156359 O\n0.142654 0.985433 0.951261 O\n0.448158 0.898793 0.659960 O\n0.943093 0.285916 0.549522 O\n0.211802 0.551842 0.450635 O\n0.714084 0.263606 0.657177 O\n0.512472 0.356113 0.050049 O\n0.014567 0.965828 0.157221 O\n0.034172 0.191393 0.048739 O\n0.537577 0.487528 0.843641 O\n0.736394 0.393572 0.450478 O\n0.238834 0.788198 0.340040 O\n0.419825 0.789925 0.078135 O\n0.921134 0.840351 0.628128 O\n0.539436 0.669681 0.576837 O\n0.039977 0.462237 0.870284 O\n0.830307 0.960023 0.422260 O\n0.330319 0.907155 0.869755 O\n0.706994 0.078866 0.919217 O\n0.210075 0.288209 0.629899 O\n0.212223 0.293006 0.371872 O\n0.711791 0.341690 0.921865 O\n0.591953 0.169693 0.129716 O\n0.092845 0.962599 0.423163 O\n0.037401 0.460564 0.130245 O\n0.537763 0.408047 0.577740 O\n0.658310 0.580175 0.370101 O\n0.159649 0.787777 0.080783 O\n",
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{
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{
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{
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"structure_string": "Ti2 Cr2 Cu2 S8\n1.0\n-3.484042 3.559384 4.967008\n3.484042 -3.559384 4.967008\n3.484042 3.559384 -4.967008\nTi Cr Cu S\n2 2 2 8\ndirect\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.624467 0.874467 0.750000 Cu\n0.375533 0.125533 0.250000 Cu\n0.232705 0.742910 0.489795 S\n0.753115 0.742910 0.010205 S\n0.755569 0.738604 0.483035 S\n0.755569 0.272533 0.016965 S\n0.767295 0.257090 0.510205 S\n0.246885 0.257090 0.989795 S\n0.244431 0.261396 0.516965 S\n0.244431 0.727467 0.983035 S\n",
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{
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"structure_string": "Li14 Mn4 Co6 O24\n1.0\n-5.781327 0.089539 0.490890\n0.152428 -7.378406 6.419153\n3.212198 7.604498 3.099875\nLi Mn Co O\n14 4 6 24\ndirect\n0.917975 0.666861 0.835554 Li\n0.415339 0.666496 0.831128 Li\n0.666611 0.166679 0.833331 Li\n0.166618 0.166683 0.833333 Li\n0.417075 0.166670 0.333376 Li\n0.916236 0.166700 0.333341 Li\n0.594621 0.333329 0.193291 Li\n0.095189 0.330460 0.191777 Li\n0.238153 0.002859 0.474911 Li\n0.738714 0.999971 0.473371 Li\n0.846194 0.841407 0.170353 Li\n0.345251 0.840690 0.170545 Li\n0.988106 0.492669 0.496160 Li\n0.487174 0.491956 0.496351 Li\n0.012263 0.003176 0.013038 Mn\n0.512219 0.003381 0.012886 Mn\n0.821117 0.329939 0.653771 Mn\n0.321072 0.330135 0.653598 Mn\n0.166690 0.666656 0.333335 Co\n0.743256 0.496235 0.001041 Co\n0.242463 0.495438 0.000522 Co\n0.090886 0.837897 0.666124 Co\n0.590086 0.837099 0.665623 Co\n0.666684 0.666665 0.333341 Co\n0.786340 0.148819 0.074752 O\n0.286071 0.148657 0.074663 O\n0.546967 0.184492 0.591875 O\n0.047244 0.184660 0.591968 O\n0.544525 0.650987 0.086369 O\n0.040425 0.651143 0.076657 O\n0.292910 0.682177 0.590010 O\n0.788826 0.682348 0.580314 O\n0.215153 0.336420 0.438093 O\n0.715568 0.336648 0.438601 O\n0.118179 0.996944 0.228559 O\n0.617774 0.996730 0.228087 O\n0.969144 0.824693 0.414388 O\n0.469744 0.822342 0.414116 O\n0.863619 0.510997 0.252571 O\n0.364210 0.508636 0.252284 O\n0.608963 0.482616 0.744241 O\n0.109196 0.482656 0.744173 O\n0.724372 0.850700 0.922418 O\n0.224148 0.850656 0.922482 O\n0.895845 0.992167 0.762452 O\n0.395409 0.992720 0.762390 O\n0.937903 0.340597 0.904251 O\n0.437472 0.341146 0.904183 O\n",
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}