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{
"id": "mp-768385",
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"structure_string": "Ba8 Y4 Br28\n1.0\n18.238748 0.000000 0.000000\n0.000000 7.685806 0.000000\n0.000000 7.610138 12.533275\nBa Y Br\n8 4 28\ndirect\n0.510127 0.379291 0.822516 Ba\n0.771637 0.261703 0.982664 Ba\n0.271637 0.738297 0.517336 Ba\n0.010127 0.620709 0.677484 Ba\n0.989873 0.379291 0.322516 Ba\n0.728363 0.261703 0.482664 Ba\n0.228363 0.738297 0.017336 Ba\n0.489873 0.620709 0.177484 Ba\n0.838074 0.878339 0.357489 Y\n0.338074 0.121661 0.142511 Y\n0.661926 0.878339 0.857489 Y\n0.161926 0.121661 0.642511 Y\n0.718224 0.270592 0.762431 Br\n0.705159 0.705737 0.454083 Br\n0.104629 0.524576 0.517183 Br\n0.475605 0.965131 0.234445 Br\n0.810731 0.817929 0.191164 Br\n0.382276 0.053079 0.975929 Br\n0.927611 0.320048 0.882524 Br\n0.427611 0.679952 0.617476 Br\n0.882276 0.946921 0.524071 Br\n0.310731 0.182071 0.308836 Br\n0.604629 0.475424 0.982817 Br\n0.975605 0.034869 0.265555 Br\n0.218224 0.729408 0.737569 Br\n0.205159 0.294263 0.045917 Br\n0.794841 0.705737 0.954083 Br\n0.781776 0.270592 0.262431 Br\n0.024395 0.965131 0.734445 Br\n0.395371 0.524576 0.017183 Br\n0.689269 0.817929 0.691164 Br\n0.117724 0.053079 0.475929 Br\n0.572389 0.320048 0.382524 Br\n0.072389 0.679952 0.117476 Br\n0.617724 0.946921 0.024071 Br\n0.189269 0.182071 0.808836 Br\n0.524395 0.034869 0.765555 Br\n0.895371 0.475424 0.482817 Br\n0.294841 0.294263 0.545917 Br\n0.281776 0.729408 0.237569 Br\n",
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{
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{
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"structure_string": "Mg2 Te2 Mo2 O12\n1.0\n5.088778 0.000000 0.000000\n0.000000 5.364323 0.000000\n0.000000 0.000000 9.272860\nMg Te Mo O\n2 2 2 12\ndirect\n0.000000 0.500000 0.031940 Mg\n0.500000 0.000000 0.968060 Mg\n0.000000 0.000000 0.236203 Te\n0.500000 0.500000 0.763797 Te\n0.000000 0.000000 0.696542 Mo\n0.500000 0.500000 0.303458 Mo\n0.235890 0.676570 0.202021 O\n0.764110 0.323430 0.202021 O\n0.264110 0.176570 0.797979 O\n0.735890 0.823430 0.797979 O\n0.220203 0.171156 0.101275 O\n0.779797 0.828844 0.101275 O\n0.279797 0.671156 0.898725 O\n0.720203 0.328844 0.898725 O\n0.341191 0.289734 0.415864 O\n0.658809 0.710266 0.415864 O\n0.158809 0.789734 0.584136 O\n0.841191 0.210266 0.584136 O\n",
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{
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"structure_string": "K6 Nb12 O30\n1.0\n12.962290 0.000000 0.000000\n0.000000 4.118914 0.000000\n0.000000 0.298936 12.931154\nK Nb O\n6 12 30\ndirect\n0.244434 0.520168 0.001281 K\n0.413981 0.513427 0.326630 K\n0.586019 0.513427 0.826630 K\n0.755566 0.520168 0.501281 K\n0.929397 0.506959 0.171101 K\n0.070603 0.506959 0.671101 K\n0.238827 0.001176 0.486986 Nb\n0.321334 0.032909 0.795166 Nb\n0.371952 0.391692 0.631788 Nb\n0.447446 0.013135 0.072685 Nb\n0.552554 0.013135 0.572685 Nb\n0.628048 0.391692 0.131788 Nb\n0.678666 0.032909 0.295166 Nb\n0.761173 0.001176 0.986986 Nb\n0.834664 0.986989 0.706316 Nb\n0.957490 0.987850 0.420914 Nb\n0.042510 0.987850 0.920914 Nb\n0.165336 0.986989 0.206316 Nb\n0.262260 0.535159 0.509851 O\n0.251833 0.051751 0.649963 O\n0.318258 0.032820 0.141510 O\n0.329023 0.548200 0.782103 O\n0.391414 0.026909 0.933969 O\n0.400629 0.065265 0.509137 O\n0.463314 0.035800 0.711482 O\n0.471603 0.532445 0.077230 O\n0.528397 0.532445 0.577230 O\n0.536686 0.035800 0.211482 O\n0.599371 0.065265 0.009137 O\n0.608586 0.026909 0.433969 O\n0.670977 0.548200 0.282103 O\n0.681742 0.032820 0.641510 O\n0.748167 0.051751 0.149963 O\n0.737740 0.535159 0.009851 O\n0.747946 0.035048 0.842994 O\n0.819709 0.036432 0.358729 O\n0.826667 0.539612 0.706441 O\n0.892751 0.035617 0.568595 O\n0.905162 0.033151 0.002102 O\n0.962555 0.031587 0.787266 O\n0.956898 0.539677 0.423692 O\n0.043102 0.539677 0.923692 O\n0.037445 0.031587 0.287266 O\n0.094838 0.033151 0.502102 O\n0.107249 0.035617 0.068595 O\n0.173333 0.539612 0.206441 O\n0.180291 0.036432 0.858729 O\n0.252054 0.035048 0.342994 O\n",
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{
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{
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{
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{
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{
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{
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"structure_string": "Cs12 Cu8 I20\n1.0\n10.419579 0.000000 0.000000\n0.000000 11.839414 0.000000\n0.000000 0.000000 14.592535\nCs Cu I\n12 8 20\ndirect\n0.552638 0.987314 0.823878 Cs\n0.052638 0.512686 0.676122 Cs\n0.447362 0.487314 0.176122 Cs\n0.947362 0.012686 0.323878 Cs\n0.447362 0.012686 0.176122 Cs\n0.947362 0.487314 0.323878 Cs\n0.552638 0.512686 0.823878 Cs\n0.052638 0.987314 0.676122 Cs\n0.906625 0.750000 0.048417 Cs\n0.406625 0.750000 0.451583 Cs\n0.093375 0.250000 0.951583 Cs\n0.593375 0.250000 0.548417 Cs\n0.740716 0.250000 0.126695 Cu\n0.286811 0.750000 0.044185 Cu\n0.786811 0.750000 0.455815 Cu\n0.713189 0.250000 0.955815 Cu\n0.213189 0.250000 0.544185 Cu\n0.259284 0.750000 0.873305 Cu\n0.759284 0.750000 0.626695 Cu\n0.240716 0.250000 0.373305 Cu\n0.338941 0.750000 0.709536 I\n0.838941 0.750000 0.790464 I\n0.661059 0.250000 0.290464 I\n0.161059 0.250000 0.209536 I\n0.967199 0.250000 0.513038 I\n0.203353 0.750000 0.210690 I\n0.467199 0.250000 0.986962 I\n0.032801 0.750000 0.486962 I\n0.532801 0.750000 0.013038 I\n0.296647 0.250000 0.710690 I\n0.796647 0.250000 0.789310 I\n0.703353 0.750000 0.289310 I\n0.691899 0.562583 0.550664 I\n0.191899 0.937417 0.949336 I\n0.308101 0.062583 0.449336 I\n0.808101 0.437417 0.050664 I\n0.308101 0.437417 0.449336 I\n0.808101 0.062583 0.050664 I\n0.691899 0.937417 0.550664 I\n0.191899 0.562583 0.949336 I\n",
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{
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"structure_string": "S4 Cl8 O4\n1.0\n6.184555 0.000000 0.000000\n0.000000 8.278800 0.000000\n0.000000 1.498653 9.330499\nS Cl O\n4 8 4\ndirect\n0.062530 0.236464 0.169614 S\n0.562530 0.263536 0.830386 S\n0.937470 0.763536 0.830386 S\n0.437470 0.736464 0.169614 S\n0.201298 0.261007 0.368210 Cl\n0.701298 0.238993 0.631790 Cl\n0.798702 0.738993 0.631790 Cl\n0.298702 0.761007 0.368210 Cl\n0.791544 0.095261 0.248588 Cl\n0.291544 0.404739 0.751412 Cl\n0.208456 0.904739 0.751412 Cl\n0.708456 0.595261 0.248588 Cl\n0.203866 0.133051 0.100138 O\n0.703866 0.366949 0.899862 O\n0.796134 0.866949 0.899862 O\n0.296134 0.633051 0.100138 O\n",
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"elements": [
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],
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{
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"structure_string": "In1 Cu1 O3\n1.0\n5.793300 -1.723667 0.000000\n5.793300 1.723667 0.000000\n5.280461 0.000000 2.941102\nIn Cu O\n1 1 3\ndirect\n0.497831 0.497831 0.497831 In\n0.003053 0.003053 0.003053 Cu\n0.111910 0.111910 0.111910 O\n0.893412 0.893412 0.893412 O\n0.343328 0.343328 0.343328 O\n",
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],
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}