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{
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{
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{
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"structure_string": "Mg2 Ti2 Al2 S8\n1.0\n6.366903 -0.001462 3.677100\n2.105527 5.941717 3.703771\n0.023006 0.048943 7.314345\nMg Ti Al S\n2 2 2 8\ndirect\n0.874917 0.875034 0.875141 Mg\n0.125084 0.124972 0.124859 Mg\n0.500002 0.499995 0.999997 Ti\n0.499998 0.999995 0.500008 Ti\n0.500000 0.500014 0.499981 Al\n0.000002 0.499992 0.500012 Al\n0.747699 0.735535 0.735527 S\n0.260295 0.265062 0.714248 S\n0.260379 0.714242 0.265064 S\n0.718763 0.264500 0.264451 S\n0.739616 0.285759 0.734928 S\n0.281235 0.735498 0.735545 S\n0.252302 0.264457 0.264486 S\n0.739712 0.734941 0.285753 S\n",
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{
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"structure_string": "Cr2 H20 S2 O18\n1.0\n5.890691 0.000000 0.000000\n0.915561 7.209700 0.000000\n0.896048 3.012840 11.990946\nCr H S O\n2 20 2 18\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.342489 0.042841 0.266470 H\n0.657511 0.957159 0.733530 H\n0.419515 0.524098 0.824181 H\n0.580485 0.475902 0.175819 H\n0.931529 0.638753 0.291826 H\n0.068471 0.361247 0.708174 H\n0.326494 0.698913 0.089890 H\n0.673506 0.301087 0.910110 H\n0.394814 0.292517 0.399095 H\n0.605186 0.707483 0.600905 H\n0.173181 0.784780 0.490148 H\n0.826819 0.215220 0.509852 H\n0.339860 0.090544 0.459784 H\n0.660140 0.909456 0.540216 H\n0.755529 0.739177 0.365077 H\n0.244471 0.260823 0.634923 H\n0.747450 0.283595 0.035642 H\n0.252550 0.716405 0.964358 H\n0.561014 0.673373 0.209740 H\n0.438986 0.326627 0.790260 H\n0.703316 0.040433 0.228660 S\n0.296684 0.959567 0.771340 S\n0.708072 0.249166 0.178437 O\n0.291928 0.750834 0.821563 O\n0.820878 0.612364 0.355430 O\n0.179122 0.387636 0.644570 O\n0.451894 0.154414 0.405822 O\n0.548106 0.845586 0.594178 O\n0.437859 0.996448 0.207663 O\n0.562141 0.003552 0.792337 O\n0.836264 0.928404 0.150007 O\n0.163736 0.071596 0.849993 O\n0.192885 0.745267 0.036108 O\n0.807115 0.254733 0.963892 O\n0.250585 0.499285 0.422571 O\n0.749415 0.500715 0.577429 O\n0.014692 0.755609 0.512266 O\n0.985308 0.244391 0.487734 O\n0.538783 0.615564 0.149075 O\n0.461217 0.384436 0.850925 O\n",
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"structure_string": "Sr3 Ir2 O7\n1.0\n5.705155 1.209336 0.309099\n1.016687 5.742616 0.309099\n1.938811 2.005183 6.389455\nSr Ir O\n3 2 7\ndirect\n0.306527 0.306527 0.608409 Sr\n0.500000 0.500000 0.000000 Sr\n0.693473 0.693473 0.391591 Sr\n0.082636 0.082636 0.200218 Ir\n0.917364 0.917364 0.799782 Ir\n0.000000 0.000000 0.000000 O\n0.219738 0.219738 0.325132 O\n0.330948 0.756021 0.258755 O\n0.243979 0.669052 0.741245 O\n0.756021 0.330948 0.258755 O\n0.669052 0.243979 0.741245 O\n0.780262 0.780262 0.674867 O\n",
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{
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{
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