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"structure_string": "Li4 I4 O12\n1.0\n5.206316 0.000000 0.000000\n0.000000 5.836815 0.000000\n0.000000 0.000000 9.341019\nLi I O\n4 4 12\ndirect\n0.977082 0.413927 0.481274 Li\n0.977082 0.086073 0.981274 Li\n0.477081 0.586073 0.518726 Li\n0.477081 0.913928 0.018726 Li\n0.511883 0.422273 0.181478 I\n0.011883 0.577728 0.818522 I\n0.511883 0.077727 0.681478 I\n0.011883 0.922274 0.318522 I\n0.190973 0.832450 0.873464 O\n0.690973 0.332449 0.626536 O\n0.690973 0.167551 0.126536 O\n0.190973 0.667552 0.373464 O\n0.180012 0.527756 0.650263 O\n0.173252 0.142520 0.426214 O\n0.673252 0.857481 0.573787 O\n0.180012 0.972246 0.150263 O\n0.680012 0.027755 0.849738 O\n0.680012 0.472245 0.349737 O\n0.673252 0.642521 0.073786 O\n0.173252 0.357480 0.926214 O\n",
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"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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"structure_string": "Zn4 Ni2 W2 O12\n1.0\n0.000000 5.171336 0.005980\n5.201082 0.000000 0.000000\n0.000000 -5.036947 -7.692705\nZn Ni W O\n4 2 2 12\ndirect\n0.260552 0.965373 0.253543 Zn\n0.739448 0.465374 0.246457 Zn\n0.739448 0.034626 0.746456 Zn\n0.260551 0.534626 0.753543 Zn\n0.500000 0.000000 -0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n-0.000001 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.643187 0.079729 0.261293 O\n0.356813 0.579729 0.238707 O\n0.737987 0.673989 0.057131 O\n0.262013 0.173990 0.442869 O\n0.262013 0.326010 0.942868 O\n0.913045 0.185497 0.075111 O\n0.086954 0.814502 0.924888 O\n0.913045 0.314503 0.575111 O\n0.356812 0.920271 0.738706 O\n0.086955 0.685497 0.424888 O\n0.737986 0.826010 0.557131 O\n0.643187 0.420271 0.761293 O\n",
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{
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"created_at": "2022-09-04T14:37:04.382625Z",
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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": "Tm4 B16\n1.0\n7.044177 -0.000000 -0.000000\n-0.000000 7.044177 -0.000000\n0.000000 0.000000 3.984712\nTm B\n4 16\ndirect\n0.180873 0.680874 0.000000 Tm\n0.819127 0.319127 0.000000 Tm\n0.680874 0.819127 0.000000 Tm\n0.319127 0.180873 0.000000 Tm\n0.913203 0.586798 0.500000 B\n0.413203 0.913203 0.500000 B\n0.461430 0.676763 0.500000 B\n0.586798 0.086797 0.500000 B\n0.823238 0.038570 0.500000 B\n0.538570 0.323237 0.500000 B\n0.038570 0.176763 0.500000 B\n0.323237 0.461430 0.500000 B\n0.176763 0.961431 0.500000 B\n0.500000 0.500000 0.202316 B\n0.676763 0.538570 0.500000 B\n0.961431 0.823238 0.500000 B\n0.500000 0.500000 0.797683 B\n0.086797 0.413203 0.500000 B\n0.000000 0.000000 0.202316 B\n0.000000 0.000000 0.797683 B\n",
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"structure_string": "Mg2 H4 C6 O8\n1.0\n4.144319 0.068919 1.199124\n0.255448 5.856466 0.356202\n0.198852 0.075296 7.628614\nMg H C O\n2 4 6 8\ndirect\n-0.008317 0.827526 0.441237 Mg\n-0.015584 0.797724 0.013001 Mg\n0.195552 0.298055 0.427522 H\n0.237109 0.269913 0.710067 H\n0.585713 0.393610 0.416651 H\n0.230082 0.314985 0.936906 H\n0.389907 0.309338 0.795158 C\n0.444080 0.317789 0.338621 C\n0.654293 0.119869 0.776802 C\n0.509046 0.546987 0.724818 C\n0.443242 0.496068 0.185311 C\n0.616088 0.086621 0.297284 C\n0.174507 0.620706 0.208665 O\n0.695013 0.529591 0.053570 O\n0.785038 0.564259 0.603348 O\n0.466185 0.907200 0.370931 O\n0.684878 0.021226 0.924829 O\n0.921800 0.063131 0.211402 O\n0.829199 0.071806 0.616062 O\n0.314453 0.717429 0.781979 O\n",
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{
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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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"structure_string": "Ga2 Ag2 P4 Se12\n1.0\n3.220430 -5.577948 0.000000\n3.220430 5.577948 0.000000\n0.000000 0.000000 13.404891\nGa Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.750000 Ga\n0.000000 0.000000 0.250000 Ga\n0.666667 0.333333 0.250000 Ag\n0.333333 0.666667 0.750000 Ag\n0.333333 0.666667 0.334759 P\n0.333333 0.666667 0.165241 P\n0.666667 0.333333 0.665241 P\n0.666667 0.333333 0.834759 P\n0.680182 0.984493 0.379672 Se\n0.304312 0.319818 0.379672 Se\n0.015507 0.695689 0.379672 Se\n0.680182 0.695688 0.120328 Se\n0.304311 0.984493 0.120328 Se\n0.984493 0.304311 0.620328 Se\n0.319818 0.015507 0.620328 Se\n0.984493 0.680182 0.879672 Se\n0.695688 0.680182 0.620328 Se\n0.695689 0.015507 0.879672 Se\n0.015507 0.319818 0.120328 Se\n0.319818 0.304312 0.879672 Se\n",
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}