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"structure_string": "In3 H24 C12 N3 O30\n1.0\n9.024378 0.000000 -0.000000\n-4.512189 7.815340 -0.000000\n0.000000 -0.000000 11.498846\nIn H C N O\n3 24 12 3 30\ndirect\n0.500000 0.000000 0.000000 In\n-0.000000 0.500000 0.666667 In\n0.500000 0.500000 0.333333 In\n0.640942 0.899801 0.487593 H\n0.103716 0.025672 0.385761 H\n0.896284 0.974328 0.385761 H\n0.078045 0.974328 0.614239 H\n0.103716 0.078045 0.947572 H\n0.741141 0.100199 0.512408 H\n0.078045 0.103716 0.719096 H\n0.359058 0.100199 0.487593 H\n0.359058 0.258859 0.845741 H\n0.974328 0.896284 0.280905 H\n0.741141 0.640942 0.820926 H\n0.640942 0.741141 0.845741 H\n0.899802 0.258859 0.154259 H\n0.100199 0.359058 0.179075 H\n0.921955 0.896284 0.719096 H\n0.100199 0.741141 0.154259 H\n0.025672 0.921955 0.052428 H\n0.974328 0.078045 0.052428 H\n0.025672 0.103716 0.280905 H\n0.258859 0.359058 0.820926 H\n0.921956 0.025672 0.614239 H\n0.258859 0.899801 0.512408 H\n0.896284 0.921955 0.947572 H\n0.899802 0.640942 0.179075 H\n0.577358 0.788679 0.166667 C\n0.689436 0.378872 0.500000 C\n0.422642 0.211321 0.166667 C\n0.621128 0.310564 0.166667 C\n0.310564 0.689436 0.833333 C\n0.689436 0.310564 0.833333 C\n0.788679 0.211321 0.833333 C\n0.788679 0.577358 0.500000 C\n0.378872 0.689436 0.166667 C\n0.310564 0.621128 0.500000 C\n0.211321 0.788679 0.833333 C\n0.211321 0.422642 0.500000 C\n0.000000 0.000000 0.666667 N\n0.000000 0.000000 0.333333 N\n0.000000 0.000000 0.000000 N\n0.268770 0.346159 0.439037 O\n0.653841 0.922611 0.105704 O\n0.268770 0.922611 0.894297 O\n0.449372 0.693928 0.443454 O\n0.693928 0.449372 0.223213 O\n0.922611 0.268770 0.772370 O\n-0.000000 0.755375 0.166667 O\n0.755444 0.306072 0.556546 O\n0.077389 0.346159 0.560964 O\n0.346159 0.077389 0.105704 O\n0.306072 0.755444 0.110121 O\n0.755444 0.449372 0.776787 O\n0.755375 0.000000 0.500000 O\n0.922611 0.653841 0.560964 O\n0.755375 0.755375 0.833333 O\n0.244625 0.244625 0.833333 O\n0.731230 0.077389 0.894297 O\n0.449372 0.755444 0.889880 O\n-0.000000 0.244625 0.166667 O\n0.731230 0.653841 0.439037 O\n0.244556 0.550628 0.776787 O\n0.550628 0.244556 0.889880 O\n0.244625 0.000000 0.500000 O\n0.346159 0.268770 0.227630 O\n0.550628 0.306072 0.443454 O\n0.077389 0.731230 0.772370 O\n0.244556 0.693928 0.556546 O\n0.653841 0.731230 0.227630 O\n0.693928 0.244556 0.110121 O\n0.306072 0.550628 0.223213 O\n",
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"structure_string": "Ba4 Tl1 Ru1\n1.0\n0.000000 4.857484 4.857484\n4.857484 -0.000000 4.857484\n4.857484 4.857484 0.000000\nBa Tl Ru\n4 1 1\ndirect\n0.126523 0.624492 0.624492 Ba\n0.624492 0.624492 0.624492 Ba\n0.624492 0.126523 0.624492 Ba\n0.624492 0.624492 0.126523 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Ru\n",
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