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{
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"structure_string": "Cd6 Te2 O12\n1.0\n0.000000 5.574690 0.000425\n5.708141 0.000000 0.000000\n0.000000 -5.553536 -8.155908\nCd Te O\n6 2 12\ndirect\n0.751567 0.455632 0.741304 Cd\n0.248432 0.955632 0.758697 Cd\n0.248433 0.544367 0.258697 Cd\n0.751568 0.044367 0.241304 Cd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n-0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.658401 0.424327 0.277489 O\n0.341599 0.924327 0.222512 O\n0.758651 0.824481 0.049879 O\n0.241350 0.324481 0.450121 O\n0.241350 0.175519 0.950121 O\n0.915885 0.280741 0.081615 O\n0.084115 0.719259 0.918386 O\n0.915885 0.219259 0.581615 O\n0.658401 0.075673 0.777489 O\n0.084115 0.780741 0.418386 O\n0.758650 0.675519 0.549880 O\n0.341599 0.575673 0.722512 O\n",
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{
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"structure_string": "Zr8 N8 O4\n1.0\n3.137978 -0.000000 0.000000\n0.000000 8.499664 0.000000\n0.000000 0.000000 8.559994\nZr N O\n8 8 4\ndirect\n0.250000 0.001095 0.181869 Zr\n0.750001 0.178751 0.494842 Zr\n0.750001 0.321250 0.994841 Zr\n0.250000 0.498904 0.681869 Zr\n0.750001 0.501095 0.318130 Zr\n0.250000 0.678750 0.005158 Zr\n0.250000 0.821250 0.505158 Zr\n0.750001 0.998904 0.818130 Zr\n0.750001 0.944213 0.375939 N\n0.750001 0.866987 0.047414 N\n0.750001 0.633012 0.547414 N\n0.750001 0.555786 0.875939 N\n0.250000 0.133013 0.952585 N\n0.250000 0.366987 0.452585 N\n0.250000 0.055786 0.624061 N\n0.250000 0.444213 0.124061 N\n0.250000 0.690389 0.273583 O\n0.750001 0.190389 0.226416 O\n0.750001 0.309611 0.726416 O\n0.250000 0.809610 0.773583 O\n",
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{
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"created_at": "2022-09-04T14:37:04.396180Z",
"updated_at": "2022-09-04T14:37:04.396192Z",
"structure_string": "Pr4 Rh4 O12\n1.0\n5.423285 0.000000 0.000000\n0.000000 5.876873 0.000000\n0.000000 0.000000 7.865688\nPr Rh O\n4 4 12\ndirect\n0.476490 0.574456 0.750000 Pr\n0.976490 0.925544 0.250000 Pr\n0.023511 0.074456 0.750000 Pr\n0.523511 0.425544 0.250000 Pr\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.893658 0.468246 0.750000 O\n0.393658 0.031754 0.250000 O\n0.813591 0.197247 0.051607 O\n0.313591 0.302752 0.948393 O\n0.686410 0.697247 0.448393 O\n0.313591 0.302752 0.551607 O\n0.186410 0.802752 0.948393 O\n0.686410 0.697247 0.051607 O\n0.106343 0.531754 0.250000 O\n0.813591 0.197247 0.448393 O\n0.186410 0.802752 0.551607 O\n0.606343 0.968245 0.750000 O\n",
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{
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"structure_string": "Mg4 Mn2 Ir2 O12\n1.0\n0.000000 5.044890 0.023466\n5.253766 0.000000 0.000000\n0.000000 -4.977901 -7.442321\nMg Mn Ir O\n4 2 2 12\ndirect\n0.239986 0.939254 0.251053 Mg\n0.760014 0.439254 0.248947 Mg\n0.239986 0.560747 0.751053 Mg\n0.760014 0.060747 0.748947 Mg\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 -0.000000 Ir\n0.101087 0.806488 0.927706 O\n0.248431 0.322174 0.933863 O\n0.898913 0.306488 0.572293 O\n0.623028 0.069505 0.256256 O\n0.376972 0.930495 0.743744 O\n0.898913 0.193513 0.072293 O\n0.751568 0.677827 0.066136 O\n0.248431 0.177826 0.433863 O\n0.751568 0.822174 0.566136 O\n0.623028 0.430495 0.756256 O\n0.101087 0.693513 0.427706 O\n0.376972 0.569506 0.243744 O\n",
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{
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"structure_string": "K4 Si4 H12\n1.0\n5.322809 0.000000 0.000000\n-0.000000 6.802914 0.000000\n0.000000 0.000000 8.753094\nK Si H\n4 4 12\ndirect\n0.250000 0.346356 0.687110 K\n0.750000 0.653644 0.312889 K\n0.750000 0.846356 0.812889 K\n0.250000 0.153644 0.187111 K\n0.250000 0.846987 0.547229 Si\n0.750000 0.153013 0.452770 Si\n0.750000 0.346987 0.952770 Si\n0.250000 0.653013 0.047229 Si\n0.750000 0.303217 0.126651 H\n0.250000 0.696782 0.873349 H\n0.462436 0.805954 0.080452 H\n0.962436 0.194045 0.919547 H\n0.537564 0.305955 0.419547 H\n0.462436 0.694045 0.580452 H\n0.537564 0.194045 0.919547 H\n0.037564 0.805954 0.080452 H\n0.750000 0.196782 0.626651 H\n0.962436 0.305955 0.419547 H\n0.037564 0.694045 0.580452 H\n0.250000 0.803217 0.373349 H\n",
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{
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"created_at": "2022-09-04T14:36:50.503314Z",
"updated_at": "2022-09-04T14:36:50.503341Z",
"structure_string": "Hf4 Sn4 S12\n1.0\n3.718905 -0.000000 0.000000\n-0.000000 9.248739 0.000000\n0.000000 0.000000 13.891704\nHf Sn S\n4 4 12\ndirect\n0.749999 0.837782 0.048887 Hf\n0.250000 0.162219 0.951112 Hf\n0.749999 0.337782 0.451112 Hf\n0.250000 0.662219 0.548887 Hf\n0.749999 0.461113 0.828268 Sn\n0.250000 0.538887 0.171732 Sn\n0.749999 0.961113 0.671732 Sn\n0.250000 0.038887 0.328268 Sn\n0.250000 0.269307 0.784441 S\n0.749999 0.730693 0.215559 S\n0.749999 0.827595 0.491622 S\n0.250000 0.172405 0.508378 S\n0.749999 0.327595 0.008378 S\n0.749999 0.487990 0.606450 S\n0.749999 0.987990 0.893549 S\n0.250000 0.012011 0.106450 S\n0.749999 0.230693 0.284441 S\n0.250000 0.512011 0.393550 S\n0.250000 0.672405 0.991622 S\n0.250000 0.769307 0.715559 S\n",
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{
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"created_at": "2022-09-04T14:36:57.417764Z",
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"structure_string": "Ca2 H4 C6 O8\n1.0\n4.204001 0.158499 -0.391928\n-0.319538 6.266547 -0.345303\n0.532348 0.217745 7.548141\nCa H C O\n2 4 6 8\ndirect\n0.945729 0.194672 0.505046 Ca\n0.945728 0.194672 0.005047 Ca\n0.235687 0.738989 0.856255 H\n0.235683 0.738988 0.356253 H\n0.236308 0.645772 0.639457 H\n0.236310 0.645770 0.139454 H\n0.395339 0.692448 0.250197 C\n0.395338 0.692449 0.750198 C\n0.567841 0.893212 0.202059 C\n0.565394 0.492635 0.302589 C\n0.565393 0.492636 0.802588 C\n0.567840 0.893211 0.702059 C\n0.431697 0.373931 0.913269 O\n0.828240 0.438584 0.734734 O\n0.828241 0.438584 0.234733 O\n0.432997 0.011926 0.589762 O\n0.432995 0.011927 0.089764 O\n0.833216 0.947984 0.774614 O\n0.833216 0.947983 0.274614 O\n0.431697 0.373931 0.413270 O\n",
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"structure_string": "Sc4 Ga4 O12\n1.0\n5.051212 0.000000 0.000000\n-0.000000 5.377084 0.000000\n0.000000 0.000000 7.568547\nSc Ga O\n4 4 12\ndirect\n0.025862 0.929424 0.750000 Sc\n0.474138 0.429424 0.750000 Sc\n0.525862 0.570575 0.250000 Sc\n0.974137 0.070576 0.250000 Sc\n0.000000 0.500000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.813234 0.809284 0.072358 O\n0.686766 0.309285 0.427642 O\n0.686766 0.309285 0.072358 O\n0.642111 0.061715 0.750000 O\n0.357889 0.938284 0.250000 O\n0.186766 0.190715 0.572358 O\n0.313234 0.690715 0.572358 O\n0.186766 0.190715 0.927643 O\n0.813234 0.809284 0.427642 O\n0.142111 0.438284 0.250000 O\n0.313234 0.690715 0.927643 O\n0.857889 0.561715 0.750000 O\n",
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"structure_string": "Li4 Nb1 Te3 O12\n1.0\n0.000000 4.965077 0.054115\n9.004508 0.000000 0.000000\n0.000000 -0.098407 -5.310337\nLi Nb Te O\n4 1 3 12\ndirect\n0.000000 0.316850 0.000000 Li\n0.500000 0.156655 -0.000000 Li\n-0.000000 0.692263 0.500000 Li\n0.500000 0.813720 0.500000 Li\n0.000000 0.897778 0.000000 Nb\n0.500000 0.594157 -0.000000 Te\n-0.000000 0.086107 0.500000 Te\n0.500000 0.399686 0.500000 Te\n0.781492 0.058177 0.821504 O\n0.293443 0.579764 0.678472 O\n0.201479 0.900934 0.678925 O\n0.224434 0.234406 0.689470 O\n0.775566 0.234406 0.310530 O\n0.281562 0.436753 0.151825 O\n0.706557 0.579764 0.321527 O\n0.218508 0.058177 0.178496 O\n0.718438 0.436753 0.848175 O\n0.265390 0.740818 0.150253 O\n0.798521 0.900934 0.321074 O\n0.734610 0.740818 0.849747 O\n",
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"created_at": "2022-09-04T14:36:57.629163Z",
"updated_at": "2022-09-04T14:36:57.629187Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.440735 -0.037821 1.678400\n1.331792 6.028754 1.676769\n-0.001991 0.000378 6.706179\nMg H C O\n2 4 6 8\ndirect\n0.976410 0.808150 0.434352 Mg\n0.976410 0.808150 0.934351 Mg\n0.265609 0.346202 0.471121 H\n0.265606 0.346203 0.971120 H\n0.687114 0.270063 0.384757 H\n0.687111 0.270063 0.884759 H\n0.476364 0.308134 0.838107 C\n0.476366 0.308133 0.338106 C\n0.454382 0.098589 0.781192 C\n0.498356 0.517685 0.665418 C\n0.498356 0.517684 0.165418 C\n0.454382 0.098589 0.281192 C\n0.245674 0.658281 0.156376 O\n0.760156 0.549499 0.049500 O\n0.760157 0.549499 0.549502 O\n0.192584 0.066816 0.312026 O\n0.192583 0.066817 0.812026 O\n0.707045 0.957955 0.216154 O\n0.707045 0.957957 0.716154 O\n0.245675 0.658281 0.656375 O\n",
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}