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{
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"structure_string": "Cd2 Hg4 Se2 O12\n1.0\n6.994555 0.010564 0.054941\n3.187031 6.551788 -0.019383\n2.858649 0.883143 6.969537\nCd Hg Se O\n2 4 2 12\ndirect\n0.332567 0.135549 0.212915 Cd\n0.667434 0.864450 0.787086 Cd\n0.841591 0.642138 0.209869 Hg\n0.158410 0.357861 0.790132 Hg\n0.660938 0.360623 0.791027 Hg\n0.339063 0.639376 0.208973 Hg\n0.796835 0.132142 0.311243 Se\n0.203165 0.867857 0.688757 Se\n0.853573 0.524668 0.748835 O\n0.365091 0.791619 0.831119 O\n0.549342 0.800618 0.136938 O\n0.223634 0.083650 0.546666 O\n0.146428 0.475332 0.251166 O\n0.450658 0.199381 0.863062 O\n0.776367 0.916349 0.453334 O\n0.938379 0.924024 0.836353 O\n0.720208 0.323251 0.434520 O\n0.634910 0.208380 0.168882 O\n0.279793 0.676748 0.565480 O\n0.061621 0.075975 0.163647 O\n",
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"structure_string": "K4 Hg6 Ge4 Se16\n1.0\n6.679215 -0.078821 0.000000\n-1.073002 6.592935 -0.000000\n0.000000 0.000000 20.144776\nK Hg Ge Se\n4 6 4 16\ndirect\n0.104125 0.527434 0.620671 K\n0.527435 0.104125 0.379330 K\n0.604125 0.027435 0.879330 K\n0.027435 0.604124 0.120671 K\n0.584556 0.673537 0.259278 Hg\n0.673538 0.584555 0.740723 Hg\n0.084556 0.173538 0.240722 Hg\n0.173538 0.084555 0.759278 Hg\n0.466688 0.466688 0.000000 Hg\n0.966689 0.966688 0.500000 Hg\n0.097763 0.530518 0.869051 Ge\n0.530519 0.097763 0.130949 Ge\n0.030518 0.597763 0.369051 Ge\n0.597764 0.030518 0.630949 Ge\n0.173439 0.758338 0.272369 Se\n0.730220 0.208872 0.531120 Se\n0.208873 0.730219 0.468880 Se\n0.136468 0.180888 0.883032 Se\n0.180888 0.136468 0.116968 Se\n0.636468 0.680887 0.616968 Se\n0.680888 0.636467 0.383032 Se\n0.248300 0.074324 0.632352 Se\n0.074324 0.248299 0.367648 Se\n0.748300 0.574323 0.867648 Se\n0.708873 0.230219 0.031120 Se\n0.258339 0.673438 0.772369 Se\n0.673439 0.258339 0.227631 Se\n0.758340 0.173439 0.727632 Se\n0.230219 0.708872 0.968880 Se\n0.574324 0.748299 0.132352 Se\n",
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{
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{
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"created_at": "2022-09-04T14:37:39.971864Z",
"updated_at": "2022-09-04T14:37:39.971892Z",
"structure_string": "Te2 Mo4 Se2 S4\n1.0\n3.312547 0.000004 0.000013\n-1.656270 2.868749 -0.000013\n0.000212 -0.000062 35.388472\nTe Mo Se S\n2 4 2 4\ndirect\n0.666657 0.333315 0.410701 Te\n0.666635 0.333302 0.519051 Te\n0.333390 0.666727 0.101015 Mo\n0.333312 0.666643 0.464904 Mo\n0.666693 0.333354 0.274336 Mo\n0.666602 0.333270 0.662695 Mo\n0.333273 0.666621 0.710076 Se\n0.333273 0.666600 0.615230 Se\n0.333356 0.666688 0.317523 S\n0.666725 0.333389 0.057843 S\n0.666715 0.333387 0.144217 S\n0.333372 0.666702 0.231158 S\n",
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"structure_string": "Li4 Ti2 Ni4 O10\n1.0\n-2.892173 3.455412 2.432031\n-1.462651 2.458810 -7.117027\n-2.925313 -3.411190 -2.400899\nLi Ti Ni O\n4 2 4 10\ndirect\n0.500016 0.603421 0.698280 Li\n-0.000004 0.404189 0.797904 Li\n0.499995 0.794588 0.102696 Li\n0.000003 0.197326 0.401339 Li\n0.500005 0.196450 0.901781 Ti\n0.000006 0.596065 0.201976 Ti\n0.499995 0.991066 0.504471 Ni\n-0.000001 0.001537 0.999237 Ni\n-0.000004 0.795991 0.602002 Ni\n0.499996 0.404737 0.297622 Ni\n0.746760 0.401975 0.051711 O\n0.763125 0.794855 0.853787 O\n0.233819 0.600461 0.965593 O\n0.734394 0.198960 0.659954 O\n0.766167 0.600463 0.433939 O\n0.236874 0.794854 0.351365 O\n0.257780 0.011063 0.754430 O\n0.253240 0.401977 0.546313 O\n0.742222 0.011062 0.234513 O\n0.265597 0.198962 0.141082 O\n",
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{
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"updated_at": "2022-09-04T14:37:47.944209Z",
"structure_string": "Ba2 Yb1 Ta1 O6\n1.0\n5.214212 -0.000000 3.010427\n1.738071 4.916007 3.010427\n0.000000 0.000000 6.020854\nYb Ba Ta O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Yb\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750001 0.750000 Ba\n0.000000 0.000000 0.000000 Ta\n0.234741 0.765259 0.765259 O\n0.234741 0.765259 0.234742 O\n0.765258 0.234742 0.765259 O\n0.234741 0.234742 0.765258 O\n0.765258 0.234742 0.234742 O\n0.765258 0.765259 0.234742 O\n",
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{
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"updated_at": "2022-09-04T14:37:42.031370Z",
"structure_string": "K1 Zn4 Sb3 O12\n1.0\n5.504045 3.177761 2.463512\n-5.504044 3.177762 2.463512\n-0.000000 -6.355523 2.463512\nK Zn Sb O\n1 4 3 12\ndirect\n0.508880 0.508879 0.508879 K\n0.025414 0.637357 0.508034 Zn\n0.508034 0.025414 0.637357 Zn\n0.637359 0.508034 0.025413 Zn\n0.987495 0.987494 0.987495 Zn\n0.067152 0.193134 0.652722 Sb\n0.193134 0.652721 0.067153 Sb\n0.652722 0.067152 0.193135 Sb\n0.734469 0.161845 0.534511 O\n0.116992 0.319450 0.986397 O\n0.319451 0.986396 0.116992 O\n0.986396 0.116991 0.319451 O\n0.391101 0.252648 0.729213 O\n0.654815 0.962685 0.891798 O\n0.729214 0.391100 0.252647 O\n0.252647 0.729212 0.391102 O\n0.534512 0.734468 0.161845 O\n0.891798 0.654814 0.962686 O\n0.962686 0.891798 0.654814 O\n0.161845 0.534512 0.734469 O\n",
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"structure_string": "Mn1 H4 Br2 O2\n1.0\n3.865717 -0.008647 -0.344296\n-0.598040 5.751040 -0.806721\n-0.020616 0.042406 5.839366\nMn H Br O\n1 4 2 2\ndirect\n-0.000007 -0.000006 -0.000013 Mn\n0.845399 0.226056 0.613386 H\n0.154585 0.386987 0.774320 H\n0.845412 0.613013 0.225675 H\n0.154599 0.773948 0.386617 H\n0.445106 0.750728 0.750456 Br\n0.554902 0.249274 0.249563 Br\n0.000159 0.759681 0.239818 O\n0.999848 0.240322 0.760180 O\n",
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