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{
"id": "mp-8175",
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{
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{
"id": "mp-556729",
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"structure_string": "Ba12 Ti34 O80\n1.0\n8.642328 5.016623 0.000000\n-8.642328 5.016623 0.000000\n0.000000 2.980051 18.983807\nBa Ti O\n12 34 80\ndirect\n0.430886 0.863354 0.314952 Ba\n0.560181 0.710674 0.822687 Ba\n0.979239 0.162807 0.555657 Ba\n0.863354 0.430886 0.814952 Ba\n0.569114 0.136646 0.685048 Ba\n0.289326 0.439819 0.677313 Ba\n0.162807 0.979239 0.055657 Ba\n0.020761 0.837193 0.444343 Ba\n0.136646 0.569114 0.185048 Ba\n0.439819 0.289326 0.177313 Ba\n0.837193 0.020761 0.944343 Ba\n0.710674 0.560181 0.322687 Ba\n0.350385 0.708299 0.996502 Ti\n0.130169 0.818153 0.622789 Ti\n0.708299 0.350385 0.496502 Ti\n0.768487 0.619578 0.627787 Ti\n0.163697 0.324835 0.012683 Ti\n0.373101 0.175464 0.360349 Ti\n0.231513 0.380422 0.372213 Ti\n0.818153 0.130169 0.122789 Ti\n0.836303 0.675165 0.987317 Ti\n0.675165 0.836303 0.487317 Ti\n0.626899 0.824536 0.639651 Ti\n0.619578 0.768487 0.127787 Ti\n0.059880 0.940120 0.750000 Ti\n0.253470 0.746530 0.750000 Ti\n0.536194 0.043906 0.872914 Ti\n0.291701 0.649615 0.503498 Ti\n0.940120 0.059880 0.250000 Ti\n0.000000 0.500000 0.000000 Ti\n0.649615 0.291701 0.003498 Ti\n0.181847 0.869831 0.877211 Ti\n0.105561 0.894439 0.250000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.463806 0.956094 0.127086 Ti\n0.175464 0.373101 0.860349 Ti\n0.824536 0.626899 0.139651 Ti\n0.956094 0.463806 0.627086 Ti\n0.746530 0.253470 0.250000 Ti\n0.894439 0.105561 0.750000 Ti\n0.043906 0.536194 0.372914 Ti\n0.500000 0.500000 0.000000 Ti\n0.380422 0.231513 0.872213 Ti\n0.869831 0.181847 0.377211 Ti\n0.324835 0.163697 0.512683 Ti\n0.969632 0.655980 0.575254 O\n0.779061 0.464109 0.683523 O\n0.672281 0.185339 0.930285 O\n0.936601 0.297704 0.691333 O\n0.696554 0.184343 0.449242 O\n0.348848 0.510449 0.439500 O\n0.082349 0.119516 0.700529 O\n0.815657 0.303446 0.050758 O\n0.356709 0.531454 0.947665 O\n0.814661 0.327719 0.569715 O\n0.238913 0.014171 0.318810 O\n0.150582 0.987105 0.557732 O\n0.781520 0.441239 0.196282 O\n0.115796 0.628478 0.682008 O\n0.303446 0.815657 0.550758 O\n0.371522 0.884204 0.817992 O\n0.928679 0.253499 0.191685 O\n0.138201 0.487973 0.566736 O\n0.746501 0.071321 0.308315 O\n0.327719 0.814661 0.069715 O\n0.361139 0.384352 0.815207 O\n0.917651 0.880484 0.299471 O\n0.615648 0.638861 0.684793 O\n0.682548 0.675763 0.940817 O\n0.253499 0.928679 0.691685 O\n0.043478 0.375567 0.939190 O\n0.297704 0.936601 0.191333 O\n0.812255 0.778853 0.066857 O\n0.985829 0.761087 0.181190 O\n0.119516 0.082349 0.200529 O\n0.861799 0.512027 0.433264 O\n0.375567 0.043478 0.439190 O\n0.220939 0.535891 0.316477 O\n0.221147 0.187745 0.433143 O\n0.202047 0.044082 0.819771 O\n0.884204 0.371522 0.317992 O\n0.535891 0.220939 0.816477 O\n0.490788 0.150987 0.554968 O\n0.150987 0.490788 0.054968 O\n0.187745 0.221147 0.933143 O\n0.014171 0.238913 0.818810 O\n0.317452 0.324237 0.059183 O\n0.063399 0.702296 0.308667 O\n0.702296 0.063399 0.808667 O\n0.655980 0.969632 0.075254 O\n0.344020 0.030368 0.924746 O\n0.509212 0.849013 0.445032 O\n0.643291 0.468546 0.052335 O\n0.797953 0.955918 0.180229 O\n0.487973 0.138201 0.066736 O\n0.464109 0.779061 0.183523 O\n0.218480 0.558761 0.803718 O\n0.030368 0.344020 0.424746 O\n0.651152 0.489551 0.560500 O\n0.489551 0.651152 0.060500 O\n0.012895 0.849418 0.942268 O\n0.849418 0.012895 0.442268 O\n0.441239 0.781520 0.696282 O\n0.324237 0.317452 0.559183 O\n0.531454 0.356709 0.447665 O\n0.987105 0.150582 0.057732 O\n0.956522 0.624433 0.060810 O\n0.761087 0.985829 0.681190 O\n0.624433 0.956522 0.560810 O\n0.778853 0.812255 0.566857 O\n0.468546 0.643291 0.552335 O\n0.071321 0.746501 0.808315 O\n0.510449 0.348848 0.939500 O\n0.184343 0.696554 0.949242 O\n0.955918 0.797953 0.680229 O\n0.558761 0.218480 0.303718 O\n0.675763 0.682548 0.440817 O\n0.512027 0.861799 0.933264 O\n0.185339 0.672281 0.430285 O\n0.628478 0.115796 0.182008 O\n0.384352 0.361139 0.315207 O\n0.849013 0.509212 0.945032 O\n0.880484 0.917651 0.799471 O\n0.638861 0.615648 0.184793 O\n0.044082 0.202047 0.319771 O\n",
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{
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"structure_string": "Zn6 S4 O18\n1.0\n6.720151 0.000000 0.000000\n0.000000 7.539659 0.000000\n0.000000 3.712879 7.125617\nZn S O\n6 4 18\ndirect\n0.500000 0.000000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.250000 0.377213 0.744394 Zn\n0.750000 0.622787 0.255606 Zn\n0.250000 0.167092 0.225802 Zn\n0.750000 0.832908 0.774198 Zn\n0.250000 0.557037 0.285876 S\n0.750000 0.442963 0.714124 S\n0.250000 0.847973 0.699792 S\n0.750000 0.152027 0.300208 S\n0.250000 0.131281 0.992589 O\n0.750000 0.868719 0.007411 O\n0.929059 0.310654 0.759216 O\n0.429059 0.689346 0.240784 O\n0.070941 0.689346 0.240784 O\n0.570941 0.310654 0.759216 O\n0.929857 0.109153 0.213801 O\n0.429857 0.890847 0.786199 O\n0.070143 0.890847 0.786199 O\n0.570143 0.109153 0.213801 O\n0.750000 0.548055 0.831288 O\n0.250000 0.451945 0.168712 O\n0.750000 0.594577 0.514338 O\n0.250000 0.405423 0.485662 O\n0.750000 0.025954 0.504141 O\n0.250000 0.974046 0.495859 O\n0.250000 0.635606 0.744054 O\n0.750000 0.364394 0.255946 O\n",
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{
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{
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"structure_string": "Rb2 Nb4 P2 Se20\n1.0\n8.104628 0.000000 0.000000\n0.000000 7.674377 0.000000\n0.000000 3.973423 13.188712\nRb Nb P Se\n2 4 2 20\ndirect\n0.489219 0.813505 0.308283 Rb\n0.510781 0.813505 0.808283 Rb\n0.059748 0.265278 0.332644 Nb\n0.940252 0.265278 0.832644 Nb\n0.060922 0.257478 0.039611 Nb\n0.939078 0.257478 0.539611 Nb\n0.404081 0.406341 0.159582 P\n0.595919 0.406341 0.659582 P\n0.139029 0.007135 0.499734 Se\n0.860971 0.007135 0.999734 Se\n0.163362 0.216396 0.693034 Se\n0.836638 0.216396 0.193034 Se\n0.394589 0.207508 0.068875 Se\n0.605411 0.207508 0.568875 Se\n0.141281 0.510714 0.143586 Se\n0.858719 0.510714 0.643586 Se\n0.060044 0.011322 0.225583 Se\n0.939956 0.011322 0.725583 Se\n0.118623 0.524989 0.425196 Se\n0.881377 0.524989 0.925196 Se\n0.405112 0.272214 0.327121 Se\n0.594888 0.272214 0.827121 Se\n0.598538 0.606308 0.110151 Se\n0.401462 0.606308 0.610151 Se\n0.149035 0.506024 0.865129 Se\n0.850965 0.506024 0.365129 Se\n0.134532 0.005968 0.950081 Se\n0.865468 0.005968 0.450081 Se\n",
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{
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