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"structure_string": "H6 C13 S4\n1.0\n3.635341 0.344141 0.878765\n0.691793 6.182490 0.336692\n1.658525 0.344754 12.750025\nH C S\n6 13 4\ndirect\n0.235503 0.153402 0.133501 H\n0.466303 0.113732 0.757334 H\n0.981064 0.864395 0.651988 H\n0.450210 0.166342 0.956235 H\n0.303815 0.104004 0.327904 H\n0.948652 0.865076 0.453588 H\n0.080449 0.617206 0.050674 C\n0.168740 0.508422 0.644739 C\n0.150766 0.509736 0.450492 C\n0.199088 0.461785 0.752651 C\n0.129952 0.510442 0.150079 C\n0.165038 0.463074 0.342184 C\n0.040379 0.717327 0.496972 C\n0.052265 0.716598 0.604100 C\n0.208955 0.291085 0.183276 C\n0.346992 0.269434 0.800276 C\n0.234641 0.263996 0.290139 C\n0.329957 0.297117 0.909340 C\n0.158506 0.509433 0.948357 C\n0.073721 0.684200 0.255862 S\n0.923904 0.891771 0.053547 S\n0.032713 0.677416 0.845540 S\n0.267458 0.311792 0.544852 S\n",
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"structure_string": "Mg6 Co4 O14\n1.0\n5.176403 -0.000000 0.000000\n0.000000 4.768656 -1.286268\n0.000000 -0.110294 9.073790\nMg Co O\n6 4 14\ndirect\n0.674114 0.773091 -0.000000 Mg\n0.174114 0.226910 -0.000000 Mg\n0.829698 0.560524 0.614370 Mg\n0.329698 0.439478 0.385630 Mg\n0.829698 0.946153 0.385630 Mg\n0.329698 0.053849 0.614370 Mg\n0.749557 0.352149 0.202819 Co\n0.249558 0.647853 0.797181 Co\n0.249558 0.850671 0.202819 Co\n0.749557 0.149331 0.797181 Co\n0.299508 0.614164 -0.000000 O\n0.799508 0.385837 -0.000000 O\n0.439452 0.139040 0.149776 O\n0.939451 0.860962 0.850224 O\n0.048288 0.574250 0.265794 O\n0.548288 0.425751 0.734206 O\n0.206194 0.068961 0.406462 O\n0.048288 0.308457 0.734206 O\n0.706193 0.337502 0.406462 O\n0.206194 0.662499 0.593538 O\n0.939451 0.010738 0.149776 O\n0.706193 0.931040 0.593538 O\n0.548288 0.691545 0.265794 O\n0.439452 0.989264 0.850224 O\n",
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"structure_string": "Pr3 Tl1 C1\n1.0\n5.840224 0.000000 0.000000\n0.000000 5.840224 -0.000000\n-0.000000 0.000000 5.840224\nPr Tl C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 C\n",
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