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{
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"structure_string": "Rb2 In1 Au1 Cl6\n1.0\n6.387567 -0.000000 3.687863\n2.129189 6.022256 3.687863\n-0.000000 -0.000000 7.375727\nRb In Au Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.499999 Au\n0.754508 0.245493 0.245492 Cl\n0.245493 0.245493 0.754508 Cl\n0.245493 0.754508 0.754507 Cl\n0.245493 0.754508 0.245492 Cl\n0.754508 0.245493 0.754507 Cl\n0.754508 0.754508 0.245491 Cl\n",
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{
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{
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"structure_string": "H12 C14 N4 O2\n1.0\n4.685640 -0.000034 -0.000231\n-2.342429 6.728804 -0.549948\n-0.000004 -0.271510 8.844526\nH C N O\n12 14 4 2\ndirect\n0.408557 0.003099 0.319140 H\n0.051671 0.676319 0.681758 H\n0.760830 0.948682 0.130739 H\n0.227197 0.209761 0.059731 H\n0.329943 0.415262 0.252768 H\n0.094513 0.003120 0.819149 H\n0.717988 0.621881 0.993350 H\n0.687879 0.948698 0.630737 H\n0.403933 0.621895 0.493355 H\n0.482554 0.209755 0.559722 H\n0.585332 0.415261 0.752746 H\n0.124612 0.676299 0.181764 H\n0.578791 0.705081 0.956099 C\n0.206091 0.734015 0.780252 C\n0.233711 0.919919 0.856400 C\n0.655480 0.312492 0.156259 C\n0.380753 0.624516 0.829492 C\n0.431753 0.000487 0.983006 C\n0.606410 0.890985 0.032247 C\n0.743770 0.624514 0.329500 C\n0.186180 0.919907 0.356398 C\n0.157018 0.312499 0.656254 C\n0.068727 0.000485 0.483001 C\n0.626315 0.705090 0.456103 C\n0.784591 0.890994 0.532246 C\n0.027905 0.734002 0.280256 C\n0.383795 0.442836 0.751078 N\n0.253443 0.182176 0.561403 N\n0.559052 0.442831 0.251093 N\n0.428725 0.182177 0.061410 N\n0.889377 0.312480 0.656273 O\n0.923104 0.312476 0.156277 O\n",
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{
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"structure_string": "K2 Sc1 In1 Br6\n1.0\n6.983797 -0.000000 4.032097\n2.327932 6.584387 4.032097\n-0.000000 -0.000000 8.064194\nK Sc In Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.768312 0.231688 0.231688 Br\n0.231688 0.231688 0.768311 Br\n0.231688 0.768312 0.768312 Br\n0.231688 0.768312 0.231688 Br\n0.768312 0.231688 0.768312 Br\n0.768312 0.768312 0.231689 Br\n",
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{
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"structure_string": "Cd1 H18 C11 O4\n1.0\n3.877107 -0.088910 -0.149382\n-1.049207 4.187528 -0.041365\n-0.426182 -0.059397 16.452567\nCd H C O\n1 18 11 4\ndirect\n0.636814 0.218872 0.142900 Cd\n0.562534 0.404951 0.486317 H\n0.575524 0.897323 0.407834 H\n0.628532 0.933132 0.888352 H\n0.897432 0.985896 0.712872 H\n0.446561 0.904985 0.735984 H\n0.714413 0.947433 0.560448 H\n0.263223 0.875458 0.582795 H\n0.109217 0.354514 0.504198 H\n0.083057 0.019633 0.867190 H\n0.150987 0.535259 0.941830 H\n0.689007 0.425607 0.959357 H\n0.956711 0.494469 0.787793 H\n0.504211 0.408174 0.809798 H\n0.760456 0.454823 0.635881 H\n0.309086 0.378029 0.658280 H\n0.306661 0.292611 0.346747 H\n0.906234 0.399980 0.336258 H\n0.126094 0.866606 0.426258 H\n0.005641 0.837161 0.028052 C\n0.919687 0.630389 0.950992 C\n0.844808 0.821113 0.876396 C\n0.740724 0.607862 0.799367 C\n0.659598 0.788603 0.723986 C\n0.318109 0.723879 0.417708 C\n0.472778 0.754052 0.571484 C\n0.361144 0.538394 0.495002 C\n0.198056 0.503614 0.342190 C\n0.314264 0.646533 0.261142 C\n0.548821 0.573593 0.647347 C\n0.267726 0.088497 0.028788 O\n0.211809 0.461165 0.196994 O\n0.520013 0.926973 0.259183 O\n0.809799 0.761184 0.088694 O\n",
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{
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"structure_string": "H12 C20 S2 O4\n1.0\n5.777655 0.219330 -1.336258\n-1.456056 7.145886 -0.889579\n-0.022333 -0.357288 9.799667\nH C S O\n12 20 2 4\ndirect\n0.018947 0.050356 0.307093 H\n0.069964 0.330251 0.498914 H\n0.296208 0.101822 0.148362 H\n0.796208 0.101822 0.648362 H\n0.346177 0.378652 0.343986 H\n0.846178 0.378652 0.843986 H\n0.569964 0.330251 -0.001086 H\n0.012944 0.449481 0.233298 H\n0.186527 0.654098 0.769381 H\n0.686527 0.654098 0.269380 H\n0.518947 0.050356 0.807094 H\n0.512944 0.449481 0.733298 H\n0.492676 0.306719 0.335188 C\n0.901336 0.278915 0.421530 C\n0.401336 0.278915 0.921531 C\n0.872610 0.123729 0.313350 C\n0.372611 0.123729 0.813350 C\n0.712355 0.370892 0.430517 C\n0.212356 0.370892 0.930518 C\n0.654960 0.064165 0.214346 C\n0.154960 0.064165 0.714346 C\n0.992676 0.306719 0.835188 C\n0.768559 0.793118 0.104423 C\n0.964339 0.152522 0.726148 C\n0.268559 0.793118 0.604423 C\n0.577257 0.606244 0.573249 C\n0.077256 0.606245 0.073249 C\n0.469301 0.559505 0.675079 C\n0.969301 0.559506 0.175079 C\n0.292759 0.667858 0.693790 C\n0.792759 0.667858 0.193789 C\n0.464338 0.152523 0.226148 C\n0.963766 0.785389 0.995225 S\n0.463766 0.785390 0.495225 S\n0.260285 0.532075 0.036528 O\n0.616362 0.918734 0.095985 O\n0.116362 0.918734 0.595985 O\n0.760286 0.532075 0.536528 O\n",
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{
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"structure_string": "Ba1 Bi1 Br1 O2\n1.0\n3.908774 -0.048238 -6.295776\n-0.358782 3.892572 -6.295776\n0.044544 0.048238 7.410353\nBa Bi Br O\n1 1 1 2\ndirect\n0.857764 0.857764 -0.000002 Ba\n0.168485 0.168485 -0.000000 Bi\n0.494895 0.494895 -0.000001 Br\n0.739427 0.239428 0.499998 O\n0.239427 0.739428 0.499999 O\n",
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"structure_string": "K2 Li1 Sb1 Cl6\n1.0\n6.291674 -0.000000 3.632500\n2.097225 5.931847 3.632500\n-0.000000 -0.000000 7.264999\nK Li Sb Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.743191 0.256809 0.256809 Cl\n0.256808 0.256809 0.743192 Cl\n0.256808 0.743192 0.743192 Cl\n0.256808 0.743192 0.256809 Cl\n0.743191 0.256809 0.743192 Cl\n0.743190 0.743192 0.256809 Cl\n",
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"structure_string": "Cd1 H6 C5 O4\n1.0\n4.066197 -0.096767 0.805809\n1.868403 4.145200 0.179873\n0.151667 -0.041712 8.550413\nCd H C O\n1 6 5 4\ndirect\n0.908491 0.082441 0.768088 Cd\n0.468148 0.709535 0.424053 H\n0.586876 0.340182 0.321686 H\n0.859469 0.890725 0.352138 H\n0.027550 0.105226 0.114645 H\n0.021910 0.544661 0.225417 H\n0.422505 0.992724 0.184300 H\n0.191301 0.427034 0.536183 C\n0.361639 0.546124 0.386625 C\n0.101757 0.715194 0.277464 C\n0.246821 0.895561 0.144172 C\n0.456279 0.709704 0.987279 C\n0.181555 0.527113 0.675264 O\n0.067255 0.215305 0.518795 O\n0.614996 0.408947 0.988214 O\n0.460444 0.872352 0.859340 O\n",
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}