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{
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{
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"structure_string": "Ca4 Gd8 Be4 O20\n1.0\n6.427390 0.000000 0.000000\n0.000000 7.060031 0.000000\n0.000000 0.000000 9.367287\nCa Gd Be O\n4 8 4 20\ndirect\n0.580526 0.981698 0.676365 Ca\n0.419474 0.481698 0.323635 Ca\n0.080526 0.481698 0.823635 Ca\n0.919474 0.981698 0.176365 Ca\n0.096264 0.745822 0.521910 Gd\n0.403736 0.745822 0.021910 Gd\n0.903736 0.245822 0.478090 Gd\n0.596264 0.245822 0.978090 Gd\n0.928164 0.527938 0.173544 Gd\n0.071836 0.027938 0.826456 Gd\n0.428164 0.027938 0.326456 Gd\n0.571836 0.527938 0.673544 Gd\n0.694058 0.748458 0.396802 Be\n0.805942 0.748458 0.896802 Be\n0.305942 0.248458 0.603198 Be\n0.194058 0.248458 0.103198 Be\n0.164261 0.747353 0.276979 O\n0.335739 0.747353 0.776979 O\n0.835739 0.247353 0.723021 O\n0.664261 0.247353 0.223021 O\n0.020458 0.750033 0.990342 O\n0.479542 0.750033 0.490342 O\n0.979542 0.250033 0.009658 O\n0.520458 0.250033 0.509658 O\n0.316664 0.054650 0.072504 O\n0.192235 0.444947 0.572621 O\n0.683336 0.554650 0.927496 O\n0.807765 0.944947 0.427379 O\n0.692235 0.944947 0.927379 O\n0.816664 0.554650 0.427496 O\n0.307765 0.444947 0.072621 O\n0.183336 0.054650 0.572504 O\n0.638957 0.749101 0.221062 O\n0.861043 0.749101 0.721062 O\n0.361043 0.249101 0.778938 O\n0.138957 0.249101 0.278938 O\n",
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{
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"structure_string": "Li8 Fe4 Si4 O16\n1.0\n7.440317 -0.000075 0.000021\n3.720218 -3.922136 6.226298\n0.000078 -7.843437 0.000480\nLi Fe Si O\n8 4 4 16\ndirect\n0.075758 0.500000 0.750009 Li\n0.575817 0.500001 0.249995 Li\n0.674189 0.000012 0.999971 Li\n0.174209 0.999998 0.500020 Li\n0.124983 0.750013 0.935004 Li\n0.625014 0.749972 0.434945 Li\n0.375001 0.249978 0.565010 Li\n0.874996 0.250035 0.065033 Li\n0.375021 0.249983 0.196723 Fe\n0.124977 0.749979 0.303312 Fe\n0.875019 0.249985 0.696843 Fe\n0.625012 0.750030 0.803097 Fe\n0.320458 0.999956 0.000048 Si\n0.820408 0.000055 0.499949 Si\n0.429580 0.499989 0.750004 Si\n0.929556 0.500003 0.249999 Si\n0.085331 0.219888 0.895416 O\n0.585308 0.219966 0.395383 O\n0.805218 0.780131 0.604571 O\n0.305300 0.780020 0.104636 O\n0.444780 0.719882 0.634711 O\n0.944695 0.719968 0.134658 O\n0.664688 0.280098 0.865303 O\n0.164687 0.280053 0.365338 O\n0.957809 0.998407 0.667370 O\n0.457728 0.998386 0.167498 O\n0.456255 0.001590 0.832647 O\n0.956096 0.001629 0.332482 O\n0.292237 0.501657 0.915814 O\n0.792181 0.501622 0.415815 O\n0.293924 0.498327 0.584181 O\n0.793762 0.498386 0.084215 O\n",
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{
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{
"id": "mp-581887",
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"structure_string": "Ca4 As8 Xe10 F68\n1.0\n23.707832 0.000000 0.000000\n0.000000 8.532785 0.000000\n0.000000 3.996538 7.779694\nCa As Xe F\n4 8 10 68\ndirect\n0.887317 0.583055 0.837036 Ca\n0.612683 0.583055 0.337036 Ca\n0.112683 0.416945 0.162964 Ca\n0.387317 0.416945 0.662964 Ca\n0.512276 0.661529 0.678313 As\n0.826223 0.190838 0.296875 As\n0.987724 0.661529 0.178313 As\n0.012276 0.338471 0.821687 As\n0.673777 0.190838 0.796875 As\n0.487724 0.338471 0.321687 As\n0.326223 0.809162 0.203125 As\n0.173777 0.809162 0.703125 As\n0.648901 0.074458 0.350456 Xe\n0.290295 0.350759 0.081888 Xe\n0.790295 0.649241 0.418112 Xe\n0.709705 0.649241 0.918112 Xe\n0.000000 0.000000 0.500000 Xe\n0.209705 0.350759 0.581888 Xe\n0.351099 0.925542 0.649544 Xe\n0.851099 0.074458 0.850456 Xe\n0.500000 0.000000 0.000000 Xe\n0.148901 0.925542 0.149544 Xe\n0.346098 0.195263 0.580069 F\n0.523453 0.550055 0.217718 F\n0.281547 0.869512 0.329605 F\n0.618853 0.068341 0.767078 F\n0.646800 0.342468 0.279813 F\n0.023453 0.449945 0.282282 F\n0.348363 0.616148 0.399570 F\n0.954884 0.866378 0.064382 F\n0.781732 0.625696 0.792406 F\n0.781547 0.130488 0.170395 F\n0.045116 0.133622 0.935618 F\n0.138283 0.319570 0.459710 F\n0.651637 0.383852 0.600430 F\n0.697168 0.006851 0.985881 F\n0.549276 0.581987 0.545892 F\n0.848363 0.383852 0.100430 F\n0.802832 0.006851 0.485881 F\n0.718268 0.625696 0.292406 F\n0.933382 0.580304 0.328492 F\n0.044102 0.723485 0.027199 F\n0.197168 0.993149 0.514119 F\n0.271782 0.676841 0.186009 F\n0.718453 0.130488 0.670395 F\n0.771782 0.323159 0.313991 F\n0.476547 0.449945 0.782282 F\n0.454884 0.133622 0.435618 F\n0.545116 0.866378 0.564382 F\n0.871479 0.256165 0.416926 F\n0.218268 0.374304 0.207594 F\n0.361717 0.319570 0.959710 F\n0.146800 0.657532 0.220187 F\n0.450724 0.418013 0.454108 F\n0.728218 0.323159 0.813991 F\n0.433382 0.419696 0.171508 F\n0.950724 0.581987 0.045892 F\n0.281732 0.374304 0.707594 F\n0.566810 0.875499 0.168735 F\n0.118853 0.931659 0.732922 F\n0.933190 0.875499 0.668735 F\n0.128521 0.743835 0.583074 F\n0.151637 0.616148 0.899570 F\n0.853200 0.342468 0.779813 F\n0.974155 0.264736 0.694616 F\n0.638283 0.680430 0.040290 F\n0.861717 0.680430 0.540290 F\n0.049276 0.418013 0.954108 F\n0.228218 0.676841 0.686009 F\n0.302832 0.993149 0.014119 F\n0.628521 0.256165 0.916926 F\n0.066810 0.124501 0.331265 F\n0.846098 0.804737 0.919931 F\n0.976547 0.550055 0.717718 F\n0.544102 0.276515 0.472801 F\n0.474155 0.735264 0.805384 F\n0.566618 0.580304 0.828492 F\n0.433190 0.124501 0.831265 F\n0.525845 0.264736 0.194616 F\n0.881147 0.068341 0.267078 F\n0.955898 0.276515 0.972801 F\n0.381147 0.931659 0.232922 F\n0.066618 0.419696 0.671508 F\n0.371479 0.743835 0.083074 F\n0.025845 0.735264 0.305384 F\n0.218453 0.869512 0.829605 F\n0.353200 0.657532 0.720187 F\n0.653902 0.804737 0.419931 F\n0.455898 0.723485 0.527199 F\n0.153902 0.195263 0.080069 F\n",
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{
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"structure_string": "Tl12 Pb4 I20\n1.0\n9.122599 0.000000 0.000000\n0.000000 9.833228 0.000000\n0.000000 0.000000 16.589720\nTl Pb I\n12 4 20\ndirect\n0.775968 0.703501 0.446784 Tl\n0.275968 0.796499 0.553216 Tl\n0.224032 0.203501 0.053216 Tl\n0.724032 0.296499 0.946784 Tl\n0.920971 0.168060 0.525937 Tl\n0.420971 0.331940 0.474063 Tl\n0.079029 0.668060 0.974063 Tl\n0.579029 0.831940 0.025937 Tl\n0.937973 0.090632 0.216919 Tl\n0.437973 0.409368 0.783081 Tl\n0.062027 0.590632 0.283081 Tl\n0.562027 0.909368 0.716919 Tl\n0.578725 0.451227 0.205384 Pb\n0.078725 0.048773 0.794616 Pb\n0.421275 0.951227 0.294616 Pb\n0.921275 0.548773 0.705384 Pb\n0.727828 0.650716 0.852903 I\n0.227828 0.849284 0.147097 I\n0.272172 0.150716 0.647097 I\n0.772172 0.349284 0.352903 I\n0.272346 0.285104 0.276307 I\n0.772346 0.214896 0.723693 I\n0.727654 0.785104 0.223693 I\n0.227654 0.714896 0.776307 I\n0.915026 0.855188 0.635668 I\n0.415026 0.644812 0.364332 I\n0.084974 0.355188 0.864332 I\n0.584974 0.144812 0.135668 I\n0.597378 0.559230 0.609677 I\n0.097378 0.940770 0.390323 I\n0.402622 0.059230 0.890323 I\n0.902622 0.440770 0.109677 I\n0.079747 0.496458 0.527451 I\n0.579747 0.003542 0.472549 I\n0.920253 0.996458 0.972549 I\n0.420253 0.503542 0.027451 I\n",
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{
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"structure_string": "Bi8 O12\n1.0\n0.000000 5.750505 5.750505\n5.750505 0.000000 5.750505\n5.750505 5.750505 0.000000\nBi O\n8 12\ndirect\n0.880699 0.880699 0.357903 Bi\n0.880699 0.357903 0.880699 Bi\n0.357903 0.880699 0.880699 Bi\n0.880699 0.880699 0.880699 Bi\n0.369301 0.369301 0.892097 Bi\n0.369301 0.892097 0.369301 Bi\n0.892097 0.369301 0.369301 Bi\n0.369301 0.369301 0.369301 Bi\n0.050906 0.050906 0.449094 O\n0.449094 0.050906 0.449094 O\n0.050906 0.449094 0.449094 O\n0.449094 0.449094 0.050906 O\n0.050906 0.449094 0.050906 O\n0.449094 0.050906 0.050906 O\n0.199094 0.199094 0.800906 O\n0.800906 0.199094 0.800906 O\n0.199094 0.800906 0.800906 O\n0.800906 0.800906 0.199094 O\n0.199094 0.800906 0.199094 O\n0.800906 0.199094 0.199094 O\n",
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