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{
"id": "jvasp-5575",
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"structure_string": "Nb8 Te24 I4\n1.0\n0.000000 9.313847 -0.039329\n13.559543 0.000000 0.000000\n0.000000 -3.753654 -9.015653\nNb Te I\n8 24 4\ndirect\n0.824685 0.992967 0.870585 Nb\n0.175316 0.492967 0.629415 Nb\n0.175315 0.007033 0.129415 Nb\n0.824685 0.507033 0.370585 Nb\n0.475790 0.974977 0.631803 Nb\n0.524211 0.474977 0.868196 Nb\n0.524211 0.025023 0.368197 Nb\n0.475790 0.525023 0.131803 Nb\n0.085116 0.090389 0.838488 Te\n0.914885 0.590388 0.661511 Te\n0.545135 0.068652 0.911300 Te\n0.454866 0.568652 0.588700 Te\n0.454865 0.931348 0.088700 Te\n0.348663 0.855752 0.359023 Te\n0.651338 0.144248 0.640977 Te\n0.348663 0.644248 0.859023 Te\n0.085116 0.409611 0.338488 Te\n0.651338 0.355752 0.140977 Te\n0.545135 0.431348 0.411300 Te\n0.914884 0.909611 0.161512 Te\n0.955823 0.332445 0.532779 Te\n0.955823 0.167555 0.032779 Te\n0.044178 0.832445 0.967220 Te\n0.623403 0.692741 0.274312 Te\n0.376597 0.192741 0.225688 Te\n0.376597 0.307259 0.725688 Te\n0.623403 0.807259 0.774311 Te\n0.758916 0.601962 0.088589 Te\n0.241084 0.101962 0.411411 Te\n0.241084 0.398038 0.911411 Te\n0.758916 0.898038 0.588589 Te\n0.044178 0.667555 0.467220 Te\n0.812977 0.084240 0.345656 I\n0.187024 0.915759 0.654344 I\n0.812977 0.415759 0.845656 I\n0.187024 0.584240 0.154344 I\n",
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{
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"structure_string": "Na8 Ge8 Se20\n1.0\n6.212734 0.000000 0.000000\n0.000000 11.277605 0.000000\n0.000000 0.000000 13.865721\nNa Ge Se\n8 8 20\ndirect\n0.997696 0.495859 0.060784 Na\n0.002303 0.995859 0.939216 Na\n0.502303 0.495859 0.560784 Na\n0.497697 0.995859 0.439216 Na\n0.997530 0.247088 0.461831 Na\n0.002469 0.747088 0.538169 Na\n0.502469 0.247088 0.961831 Na\n0.497530 0.747088 0.038169 Na\n0.545217 0.701136 0.347179 Ge\n0.454783 0.201137 0.652821 Ge\n0.954782 0.701136 0.847179 Ge\n0.045217 0.201137 0.152821 Ge\n0.962157 0.392989 0.704946 Ge\n0.462157 0.892989 0.795054 Ge\n0.537842 0.392989 0.204946 Ge\n0.037842 0.892989 0.295054 Ge\n0.092022 0.857244 0.741164 Se\n0.499919 0.983507 0.944432 Se\n0.500080 0.483507 0.055568 Se\n0.001226 0.246749 0.990364 Se\n0.998774 0.746749 0.009636 Se\n0.498774 0.246749 0.490364 Se\n0.501225 0.746749 0.509636 Se\n0.907977 0.357244 0.258836 Se\n0.592022 0.357244 0.758836 Se\n0.612116 0.004628 0.661739 Se\n0.411633 0.187997 0.211630 Se\n0.588367 0.687997 0.788370 Se\n0.088367 0.187997 0.711630 Se\n0.911633 0.687997 0.288370 Se\n0.887883 0.004628 0.161739 Se\n0.112116 0.504628 0.838261 Se\n-0.000080 0.483507 0.555567 Se\n0.387883 0.504628 0.338261 Se\n0.407977 0.857244 0.241164 Se\n0.000080 0.983507 0.444432 Se\n",
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{
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"structure_string": "Re12 Se12 Cl12\n1.0\n9.031575 0.044655 -0.000000\n-1.806067 8.849263 -0.000000\n-0.000000 -0.000000 11.299794\nRe Se Cl\n12 12 12\ndirect\n0.130284 0.869715 0.000000 Re\n0.863124 0.136875 0.000000 Re\n0.929777 0.936056 0.150474 Re\n0.848797 0.855849 0.930694 Re\n0.651202 0.644149 0.430694 Re\n0.570222 0.563943 0.650474 Re\n0.636875 0.363124 0.500000 Re\n0.355850 0.348797 0.569305 Re\n0.369715 0.630284 0.500000 Re\n0.144150 0.151202 0.069305 Re\n0.063943 0.070222 0.849526 Re\n0.436056 0.429777 0.349526 Re\n0.551001 0.294258 0.711906 Se\n0.948998 0.205741 0.211906 Se\n0.794258 0.051001 0.788093 Se\n0.839931 0.576646 0.579825 Se\n0.705741 0.448998 0.288093 Se\n0.660067 0.923353 0.079825 Se\n0.423353 0.160068 0.420174 Se\n0.453578 0.703664 0.288341 Se\n0.296335 0.546421 0.711659 Se\n0.076646 0.339932 0.920174 Se\n0.203664 0.953578 0.211659 Se\n0.046421 0.796335 0.788341 Se\n0.856088 0.846678 0.355434 Cl\n0.692221 0.307778 0.000000 Cl\n0.643911 0.653321 0.855434 Cl\n0.573906 0.830206 0.576815 Cl\n0.330206 0.073906 0.923184 Cl\n0.299092 0.700907 0.000000 Cl\n0.807778 0.192221 0.500000 Cl\n0.153321 0.143911 0.644565 Cl\n0.169793 0.426093 0.423185 Cl\n0.200907 0.799092 0.500000 Cl\n0.346678 0.356088 0.144566 Cl\n0.926092 0.669793 0.076815 Cl\n",
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{
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"created_at": "2022-09-04T14:38:12.743062Z",
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"structure_string": "Sm4 Pt4 F28\n1.0\n0.000000 8.993495 0.021499\n5.486786 0.000000 0.000000\n0.000000 -5.675333 -10.758330\nSm Pt F\n4 4 28\ndirect\n0.812041 0.762589 0.236780 Sm\n0.187958 0.262589 0.263220 Sm\n0.187958 0.237412 0.763220 Sm\n0.812041 0.737412 0.736780 Sm\n0.271876 0.757304 0.041766 Pt\n0.728124 0.257303 0.458234 Pt\n0.728124 0.242697 0.958234 Pt\n0.271876 0.742697 0.541766 Pt\n0.025149 0.749581 0.451426 F\n0.719171 0.954824 0.369471 F\n0.280828 0.454823 0.130529 F\n0.280829 0.045177 0.630529 F\n0.719171 0.545178 0.869471 F\n0.742186 0.434308 0.323496 F\n0.257814 0.565693 0.676504 F\n0.257814 0.934309 0.176504 F\n0.974851 0.249581 0.048574 F\n0.962985 0.392803 0.770595 F\n0.037015 0.892803 0.729405 F\n0.742186 0.065692 0.823496 F\n0.974851 0.250419 0.548574 F\n0.482238 0.280044 0.364148 F\n0.517761 0.719957 0.635852 F\n0.482238 0.219956 0.864148 F\n0.037014 0.607198 0.229405 F\n0.517761 0.780044 0.135852 F\n0.270457 0.066884 0.960116 F\n0.729543 0.566884 0.539884 F\n0.729543 0.933117 0.039884 F\n0.270457 0.433117 0.460116 F\n0.706681 0.074257 0.588721 F\n0.293319 0.574257 0.911279 F\n0.293319 0.925744 0.411279 F\n0.706680 0.425744 0.088721 F\n0.025149 0.750420 0.951426 F\n0.962985 0.107198 0.270595 F\n",
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{
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"created_at": "2022-09-04T14:38:15.886417Z",
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"structure_string": "Ca8 B8 O20\n1.0\n0.000000 7.193193 0.066067\n5.204576 0.000000 0.000000\n0.000000 -0.604763 -11.527511\nCa B O\n8 8 20\ndirect\n0.381178 0.563307 0.632637 Ca\n0.618822 0.063306 0.867363 Ca\n0.618822 0.436694 0.367363 Ca\n0.381178 0.936695 0.132637 Ca\n0.875645 0.600851 0.665290 Ca\n0.124355 0.100851 0.834710 Ca\n0.124355 0.399149 0.334710 Ca\n0.875645 0.899150 0.165290 Ca\n0.845031 0.923028 0.404644 B\n0.154968 0.423028 0.095356 B\n0.154968 0.076973 0.595356 B\n0.845032 0.576973 0.904644 B\n0.337914 0.561900 0.910984 B\n0.337914 0.938101 0.410984 B\n0.662086 0.438101 0.089016 B\n0.662086 0.061900 0.589015 B\n0.409341 0.418745 0.825008 O\n0.145436 0.645379 0.156370 O\n0.854563 0.145378 0.343629 O\n0.106147 0.306192 0.641841 O\n0.893853 0.806192 0.858159 O\n0.893853 0.693809 0.358159 O\n0.106147 0.193809 0.141841 O\n0.590659 0.918746 0.674991 O\n0.409341 0.081255 0.325008 O\n0.230322 0.406081 0.985026 O\n0.643591 0.320514 0.571605 O\n0.356409 0.820515 0.928394 O\n0.356409 0.679486 0.428394 O\n0.643591 0.179486 0.071605 O\n0.769678 0.593920 0.014973 O\n0.230321 0.093919 0.485027 O\n0.145437 0.854622 0.656370 O\n0.769678 0.906081 0.514973 O\n0.590659 0.581255 0.174991 O\n0.854563 0.354622 0.843629 O\n",
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"structure_string": "Na20 Si4 As12\n1.0\n0.000000 8.224003 0.019453\n7.507637 0.000000 0.000000\n0.000000 -8.147120 -13.437185\nNa Si As\n20 4 12\ndirect\n0.560417 0.504548 0.242224 Na\n0.833024 0.349548 0.758209 Na\n0.166976 0.849548 0.741792 Na\n0.833024 0.150452 0.258209 Na\n0.158022 0.162990 0.580827 Na\n0.841979 0.662990 0.919173 Na\n0.841979 0.837011 0.419173 Na\n0.158021 0.337010 0.080827 Na\n0.085149 0.017381 0.912133 Na\n0.914851 0.517382 0.587868 Na\n0.166976 0.650452 0.241792 Na\n0.085149 0.482619 0.412133 Na\n0.248385 0.532575 0.915893 Na\n0.751616 0.032575 0.584108 Na\n0.751615 0.467425 0.084107 Na\n0.248385 0.967425 0.415893 Na\n0.560417 0.995453 0.742224 Na\n0.914851 0.982619 0.087868 Na\n0.439583 0.495453 0.757777 Na\n0.439583 0.004548 0.257777 Na\n0.515042 0.858741 0.085917 Si\n0.484958 0.358740 0.414083 Si\n0.484958 0.141260 0.914084 Si\n0.515042 0.641260 0.585917 Si\n0.522948 0.812855 0.933711 As\n0.761801 0.238321 0.419123 As\n0.238199 0.738321 0.080877 As\n0.238199 0.761680 0.580878 As\n0.761801 0.261680 0.919123 As\n0.188474 0.264014 0.273191 As\n0.811526 0.764014 0.226809 As\n0.811526 0.735987 0.726810 As\n0.188474 0.235986 0.773191 As\n0.477052 0.187145 0.066289 As\n0.522948 0.687146 0.433711 As\n0.477052 0.312855 0.566289 As\n",
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