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"structure_string": "Tm12 Al8\n1.0\n8.094059 0.000000 0.000000\n0.000000 8.094059 0.000000\n0.000000 0.000000 7.472787\nTm Al\n12 8\ndirect\n0.500000 0.000000 0.250000 Tm\n0.296844 0.296844 0.500000 Tm\n0.703158 0.703158 0.500000 Tm\n0.796843 0.203156 0.000000 Tm\n0.849892 0.150108 0.500000 Tm\n0.150108 0.849892 0.500000 Tm\n0.203156 0.796843 0.000000 Tm\n0.349892 0.349892 0.000000 Tm\n0.500000 0.000000 0.750000 Tm\n0.000000 0.500000 0.750000 Tm\n0.000000 0.500000 0.250000 Tm\n0.650108 0.650108 0.000000 Tm\n0.380167 0.619833 0.696467 Al\n0.119833 0.119833 0.196466 Al\n0.880167 0.880167 0.196466 Al\n0.380167 0.619833 0.303534 Al\n0.619833 0.380167 0.303534 Al\n0.880167 0.880167 0.803534 Al\n0.119833 0.119833 0.803534 Al\n0.619833 0.380167 0.696467 Al\n",
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{
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"updated_at": "2022-09-04T14:38:35.907611Z",
"structure_string": "Sn14 Ir6\n1.0\n7.793835 -0.000000 -2.755537\n-3.896917 6.749659 -2.755537\n0.000000 0.000000 8.266610\nSn Ir\n14 6\ndirect\n0.670649 0.670650 0.670649 Sn\n0.329350 0.000000 -0.000000 Sn\n0.329350 0.329350 0.329350 Sn\n0.250000 0.500000 0.750000 Sn\n0.749999 0.500000 0.249999 Sn\n0.499999 0.750000 0.249999 Sn\n0.749999 0.250000 0.499999 Sn\n0.500000 0.250000 0.750000 Sn\n-0.000000 0.329350 -0.000000 Sn\n0.000000 0.000000 0.329350 Sn\n-0.000000 0.670650 -0.000000 Sn\n0.000000 0.000000 0.670650 Sn\n0.670649 0.000000 -0.000000 Sn\n0.250000 0.750000 0.499999 Sn\n0.340809 0.000000 0.340809 Ir\n-0.000000 0.659191 0.659191 Ir\n0.340809 0.340809 -0.000000 Ir\n0.659190 0.659191 -0.000001 Ir\n0.659191 0.000000 0.659191 Ir\n-0.000000 0.340809 0.340809 Ir\n",
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{
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"structure_string": "Ho8 C12\n1.0\n6.673575 -0.000000 -2.359465\n-3.336788 5.779486 -2.359465\n0.000000 0.000000 7.078395\nHo C\n8 12\ndirect\n0.601423 0.601423 0.601422 Ho\n0.500000 -0.000000 0.398577 Ho\n0.000000 0.398577 0.500000 Ho\n0.500000 -0.000000 0.898576 Ho\n0.000000 0.898578 0.499999 Ho\n0.898578 0.500000 -0.000001 Ho\n0.101423 0.101423 0.101423 Ho\n0.398577 0.500000 -0.000000 Ho\n0.750001 0.793369 0.043368 C\n0.750001 0.956632 0.206631 C\n0.250000 0.543369 0.293368 C\n0.206632 0.750001 0.956631 C\n0.956632 0.206632 0.749999 C\n0.250000 0.706632 0.456631 C\n0.706632 0.456632 0.249999 C\n0.793369 0.043368 0.749999 C\n0.043368 0.750001 0.793368 C\n0.456632 0.250000 0.706631 C\n0.543369 0.293369 0.249999 C\n0.293369 0.250000 0.543368 C\n",
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"updated_at": "2022-09-04T14:38:35.723477Z",
"structure_string": "Ba4 Zr4 Se12\n1.0\n4.057031 0.000000 0.000000\n0.000000 9.096798 0.000000\n0.000000 0.000000 15.056458\nBa Zr Se\n4 4 12\ndirect\n0.750000 0.068130 0.325985 Ba\n0.250000 0.931871 0.674016 Ba\n0.750000 0.568130 0.174016 Ba\n0.250000 0.431871 0.825985 Ba\n0.250000 0.163546 0.059831 Zr\n0.750000 0.836454 0.940169 Zr\n0.250000 0.663546 0.440169 Zr\n0.750000 0.336454 0.559831 Zr\n0.750000 0.712290 0.785771 Se\n0.250000 0.287710 0.214229 Se\n0.750000 0.473815 0.393853 Se\n0.250000 0.526185 0.606147 Se\n0.750000 0.973815 0.106147 Se\n0.250000 0.667700 0.005106 Se\n0.250000 0.167700 0.494894 Se\n0.750000 0.832300 0.505106 Se\n0.250000 0.787711 0.285771 Se\n0.750000 0.332300 0.994895 Se\n0.250000 0.026185 0.893853 Se\n0.750000 0.212290 0.714229 Se\n",
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{
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"created_at": "2022-09-04T14:38:41.654139Z",
"updated_at": "2022-09-04T14:38:41.654168Z",
"structure_string": "Mg2 Zn8 O10\n1.0\n3.272767 -0.000000 0.000000\n-1.636383 2.834299 0.000000\n-0.000000 0.000000 26.237875\nMg Zn O\n2 8 10\ndirect\n0.333334 0.666667 0.276233 Mg\n0.333334 0.666667 0.077673 Mg\n0.333334 0.666667 0.675805 Zn\n0.333334 0.666667 0.876725 Zn\n0.000000 0.000000 0.175597 Zn\n0.333334 0.666667 0.474879 Zn\n0.000000 0.000000 0.575340 Zn\n0.000000 0.000000 0.776262 Zn\n0.000000 0.000000 0.977089 Zn\n0.000000 0.000000 0.374287 Zn\n0.333334 0.666667 0.200508 O\n0.000000 0.000000 0.900805 O\n0.000000 0.000000 0.699893 O\n0.000000 0.000000 0.498953 O\n0.000000 0.000000 0.298097 O\n0.000000 0.000000 0.099519 O\n0.333334 0.666667 0.800354 O\n0.333334 0.666667 0.599431 O\n0.333334 0.666667 0.398489 O\n0.333334 0.666667 0.001915 O\n",
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"structure_string": "Al1 H8 C5 Cl1 O5\n1.0\n5.254432 -0.126352 0.507822\n1.429944 5.227233 0.911337\n-0.281040 -0.172319 7.178374\nAl H C Cl O\n1 8 5 1 5\ndirect\n0.179051 0.679716 0.395673 Al\n0.568277 0.210868 0.601001 H\n0.757903 0.915518 0.696508 H\n0.466526 0.885905 0.966474 H\n0.201514 0.108920 0.852321 H\n0.459203 0.446566 0.848193 H\n0.682051 0.237797 0.001625 H\n0.742661 0.954463 0.302948 H\n0.975797 0.109464 0.222570 H\n0.554057 0.028992 0.679238 C\n0.413671 0.063479 0.870677 C\n0.291073 0.376209 0.110822 C\n0.425581 0.901756 0.555088 C\n0.479541 0.280233 0.955866 C\n0.945423 0.433678 0.542956 Cl\n0.271493 0.760981 0.623369 O\n0.378703 0.506352 0.223618 O\n0.063219 0.348767 0.123360 O\n0.455462 0.920566 0.375616 O\n0.936125 0.942845 0.279771 O\n",
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"structure_string": "Na4 Mg4 F12\n1.0\n5.367134 0.000000 0.000000\n-0.000000 5.527866 0.000000\n0.000000 0.000000 7.691164\nNa Mg F\n4 4 12\ndirect\n0.012999 0.949480 0.750000 Na\n0.512999 0.550522 0.250000 Na\n0.487000 0.449479 0.750000 Na\n0.987000 0.050521 0.250000 Na\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.595038 0.031127 0.750000 F\n0.095038 0.468873 0.250000 F\n0.700622 0.296345 0.049660 F\n0.200623 0.203655 0.950340 F\n0.799376 0.796346 0.450340 F\n0.200623 0.203655 0.549660 F\n0.299377 0.703656 0.950340 F\n0.799376 0.796346 0.049660 F\n0.404961 0.968873 0.250000 F\n0.700622 0.296345 0.450340 F\n0.299377 0.703656 0.549660 F\n0.904961 0.531128 0.750000 F\n",
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{
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"structure_string": "Mg1 Cd3 C4 O12\n1.0\n4.765047 -0.012372 9.910251\n2.248938 4.200965 9.910251\n-0.020718 -0.012372 10.996287\nMg Cd C O\n1 3 4 12\ndirect\n0.500000 0.500001 0.499999 Mg\n0.000000 0.000000 0.000000 Cd\n0.754735 0.754736 0.754734 Cd\n0.245265 0.245266 0.245265 Cd\n0.870833 0.870835 0.870832 C\n0.376725 0.376726 0.376725 C\n0.129167 0.129167 0.129167 C\n0.623274 0.623276 0.623273 C\n0.361464 0.889887 0.618532 O\n0.848528 0.374301 0.164101 O\n0.889886 0.618535 0.361463 O\n0.374300 0.164103 0.848527 O\n0.638536 0.110115 0.381466 O\n0.381467 0.638537 0.110113 O\n0.110114 0.381468 0.638535 O\n0.625700 0.835899 0.151471 O\n0.164102 0.848529 0.374300 O\n0.835898 0.151473 0.625699 O\n0.151472 0.625701 0.835897 O\n0.618533 0.361466 0.889885 O\n",
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"structure_string": "Li6 Co4 O10\n1.0\n2.830922 0.000000 -0.000000\n-1.415461 2.445676 -0.171050\n-0.000000 0.036530 23.948469\nLi Co O\n6 4 10\ndirect\n0.099006 0.198013 0.297018 Li\n0.501543 0.003087 0.504630 Li\n0.900001 0.800001 0.700000 Li\n0.298457 0.596914 0.895370 Li\n0.700994 0.401988 0.102982 Li\n0.400001 0.800001 0.200000 Li\n0.200943 0.401886 0.602829 Co\n0.599057 0.198115 0.797171 Co\n0.997375 0.994749 0.992121 Co\n0.802627 0.605253 0.407879 Co\n0.251434 0.502869 0.754302 O\n0.150575 0.301150 0.451725 O\n0.548566 0.097132 0.645698 O\n0.946572 0.893145 0.839715 O\n0.344073 0.688145 0.032216 O\n0.751647 0.503295 0.254942 O\n0.048353 0.096706 0.145059 O\n0.455929 0.911857 0.367784 O\n0.853429 0.706858 0.560285 O\n0.649425 0.298851 0.948275 O\n",
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}