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{
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"structure_string": "K4 Cd4 Cl12\n1.0\n4.022288 -0.000000 0.000000\n-0.000000 8.735516 0.000000\n0.000000 0.000000 14.543784\nK Cd Cl\n4 4 12\ndirect\n0.750000 0.576439 0.176692 K\n0.250000 0.423562 0.823307 K\n0.750000 0.076439 0.323307 K\n0.250000 0.923562 0.676692 K\n0.250000 0.172238 0.056820 Cd\n0.250000 0.672238 0.443180 Cd\n0.750000 0.327762 0.556820 Cd\n0.750000 0.827763 0.943180 Cd\n0.750000 0.202593 0.714100 Cl\n0.250000 0.797408 0.285900 Cl\n0.750000 0.476533 0.395295 Cl\n0.750000 0.338352 0.989677 Cl\n0.250000 0.661648 0.010323 Cl\n0.750000 0.838352 0.510323 Cl\n0.250000 0.161648 0.489677 Cl\n0.250000 0.023467 0.895295 Cl\n0.750000 0.976533 0.104705 Cl\n0.250000 0.523468 0.604705 Cl\n0.250000 0.297408 0.214100 Cl\n0.750000 0.702593 0.785899 Cl\n",
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{
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{
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{
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"structure_string": "Nb1 W7 Se16\n1.0\n-1.503667 2.994474 0.000000\n-0.000001 0.000002 13.122869\n10.380498 5.212514 0.000000\nNb W Se\n1 7 16\ndirect\n0.499921 0.750000 0.913748 Nb\n0.500075 0.250000 0.583358 W\n0.499923 0.750000 0.417417 W\n0.000075 0.250000 0.333225 W\n0.999923 0.750000 0.170579 W\n0.500075 0.250000 0.083350 W\n0.999921 0.750000 0.664386 W\n0.000076 0.250000 0.833440 W\n0.999922 0.877820 0.335584 Se\n0.499922 0.622214 0.582333 Se\n0.000077 0.122581 0.666780 Se\n0.500076 0.122601 0.416652 Se\n0.499921 0.877786 0.582333 Se\n0.999920 0.619629 0.828619 Se\n0.500076 0.122459 0.916741 Se\n0.500076 0.377540 0.916741 Se\n0.999920 0.880372 0.828619 Se\n0.999923 0.622180 0.335584 Se\n0.499922 0.877329 0.086903 Se\n0.000076 0.377505 0.166635 Se\n0.000076 0.122495 0.166635 Se\n0.499922 0.622671 0.086903 Se\n0.500075 0.377399 0.416652 Se\n0.000076 0.377419 0.666780 Se\n",
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"structure_string": "P8 H8 O8 F16\n1.0\n14.027324 0.000000 0.000000\n0.000000 5.901305 -0.000000\n0.000000 0.000000 6.169473\nP H O F\n8 8 8 16\ndirect\n0.644772 0.555664 0.303088 P\n0.144772 0.944337 0.696911 P\n0.355228 0.055663 0.196911 P\n0.855228 0.444337 0.803088 P\n0.355228 0.444337 0.696911 P\n0.855228 0.055663 0.303088 P\n0.644772 0.944337 0.803088 P\n0.144772 0.555664 0.196911 P\n0.183718 0.418418 0.356209 H\n0.683718 0.081582 0.643791 H\n0.816282 0.918419 0.143791 H\n0.316282 0.581582 0.856208 H\n0.183718 0.081582 0.856208 H\n0.316282 0.918419 0.356209 H\n0.683718 0.418418 0.143791 H\n0.816282 0.581582 0.643791 H\n0.797545 0.233647 0.405356 O\n0.202454 0.733647 0.094644 O\n0.702454 0.766354 0.905356 O\n0.297545 0.266354 0.594644 O\n0.797545 0.266354 0.905356 O\n0.297545 0.233647 0.094644 O\n0.202454 0.766354 0.594644 O\n0.702454 0.733647 0.405356 O\n0.951185 0.142720 0.202349 F\n0.451185 0.357281 0.797651 F\n0.951185 0.357281 0.702348 F\n0.451185 0.142720 0.297651 F\n0.048815 0.857281 0.797651 F\n0.548815 0.642720 0.202349 F\n0.102351 0.385251 0.026369 F\n0.602351 0.114749 0.973630 F\n0.897649 0.885251 0.473630 F\n0.397649 0.614750 0.526369 F\n0.897649 0.614750 0.973630 F\n0.397649 0.885251 0.026369 F\n0.102351 0.114749 0.526369 F\n0.602351 0.385251 0.473630 F\n0.548815 0.857281 0.702348 F\n0.048815 0.642720 0.297651 F\n",
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{
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"structure_string": "Mn4 Sb4 Se8 Br4\n1.0\n3.985118 -0.000000 0.000000\n-0.000000 9.939904 0.000000\n0.000000 0.000000 12.891269\nMn Sb Se Br\n4 4 8 4\ndirect\n0.750000 0.493849 0.762879 Mn\n0.750000 0.993849 0.737121 Mn\n0.250000 0.006151 0.262879 Mn\n0.250000 0.506150 0.237121 Mn\n0.250000 0.810182 0.964222 Sb\n0.750000 0.689817 0.464222 Sb\n0.250000 0.310182 0.535778 Sb\n0.750000 0.189818 0.035778 Sb\n0.750000 0.444791 0.381322 Se\n0.250000 0.055209 0.881322 Se\n0.250000 0.749018 0.322197 Se\n0.750000 0.944791 0.118678 Se\n0.750000 0.250981 0.677803 Se\n0.750000 0.750981 0.822197 Se\n0.250000 0.555208 0.618678 Se\n0.250000 0.249019 0.177803 Se\n0.250000 0.931470 0.610655 Br\n0.250000 0.431470 0.889345 Br\n0.750000 0.068530 0.389345 Br\n0.750000 0.568530 0.110655 Br\n",
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"structure_string": "Al1 Cu1 H28 S2 Cl1 O22\n1.0\n6.275238 -0.004171 -0.513361\n1.696435 13.101463 -0.429325\n-0.003194 -0.002692 6.206551\nAl Cu H S Cl O\n1 1 28 2 1 22\ndirect\n0.500001 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Cu\n0.221342 0.318048 0.371666 H\n0.778658 0.681952 0.628335 H\n0.642192 0.680442 0.391666 H\n0.533704 0.279948 0.910608 H\n0.466296 0.720052 0.089393 H\n0.283755 0.311555 0.951654 H\n0.716246 0.688445 0.048347 H\n0.885827 0.400480 0.991798 H\n0.114173 0.599520 0.008203 H\n0.151624 0.526633 0.216002 H\n0.848376 0.473367 0.783999 H\n0.718503 0.453669 0.362718 H\n0.281497 0.546331 0.637283 H\n0.357808 0.319558 0.608335 H\n0.493361 0.610720 0.647101 H\n0.506639 0.389280 0.352900 H\n0.713103 0.133002 0.349238 H\n0.517860 0.806555 0.582533 H\n0.482140 0.193445 0.417468 H\n0.879855 0.898267 0.534058 H\n0.120145 0.101733 0.465943 H\n0.286897 0.866998 0.650763 H\n0.199336 0.092888 0.726466 H\n0.311091 0.909148 0.171486 H\n0.688910 0.090852 0.828515 H\n0.694944 0.969802 0.877092 H\n0.800665 0.907112 0.273535 H\n0.305057 0.030198 0.122909 H\n0.016256 0.806570 0.933095 S\n0.983744 0.193430 0.066906 S\n-0.000000 0.500000 0.500000 Cl\n0.376408 0.972776 0.215665 O\n0.623592 0.027224 0.784336 O\n0.421522 0.557339 0.714343 O\n0.578478 0.442661 0.285658 O\n0.596447 0.671718 0.129620 O\n0.797875 0.462178 0.927676 O\n0.230356 0.068095 0.575989 O\n0.403553 0.328282 0.870381 O\n0.202126 0.537822 0.072325 O\n0.769645 0.931905 0.424012 O\n0.054924 0.842045 0.716131 O\n0.430896 0.876276 0.601444 O\n0.785376 0.196609 0.920400 O\n0.214624 0.803391 0.079601 O\n0.159628 0.121900 0.977968 O\n0.840373 0.878100 0.022032 O\n0.945076 0.157954 0.283870 O\n0.052058 0.297337 0.090366 O\n0.947942 0.702663 0.909635 O\n0.633980 0.694983 0.552684 O\n0.569105 0.123724 0.398557 O\n0.366020 0.305017 0.447317 O\n",
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{
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