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{
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{
"id": "mp-1250522",
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"structure_string": "Ca4 Cr8 Si12 O48\n1.0\n-5.897543 5.897543 6.088879\n5.897543 -5.897543 6.088879\n5.897543 5.897543 -6.088879\nCa Cr Si O\n4 8 12 48\ndirect\n0.500000 0.000000 0.500000 Ca\n0.750000 0.750000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.250000 0.250000 0.000000 Ca\n0.375000 0.625000 0.750000 Cr\n0.375000 0.625000 0.250000 Cr\n0.875000 0.625000 0.750000 Cr\n0.875000 0.625000 0.250000 Cr\n0.875000 0.125000 0.750000 Cr\n0.375000 0.125000 0.250000 Cr\n0.875000 0.125000 0.250000 Cr\n0.375000 0.125000 0.750000 Cr\n0.249183 0.875000 0.874183 Si\n0.500817 0.375000 0.625817 Si\n0.000000 0.000000 0.000000 Si\n0.625000 0.250817 0.125817 Si\n0.250000 0.750000 0.500000 Si\n0.125000 0.499183 0.874183 Si\n0.000817 0.375000 0.125817 Si\n0.125000 0.999183 0.374183 Si\n0.625000 0.750817 0.625817 Si\n0.500000 0.500000 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.749183 0.875000 0.374183 Si\n0.765483 0.927072 0.244049 O\n0.268587 0.625673 0.062197 O\n0.291685 0.738357 0.357640 O\n0.566977 0.822928 0.338411 O\n0.375673 0.813476 0.857086 O\n0.563476 0.206390 0.937803 O\n0.874327 0.231413 0.937803 O\n0.958315 0.815955 0.946671 O\n0.956390 0.518587 0.142914 O\n0.677072 0.933023 0.661589 O\n0.684045 0.541685 0.053329 O\n0.488357 0.630716 0.946671 O\n0.978566 0.816977 0.244049 O\n0.761643 0.208315 0.642360 O\n0.572928 0.734517 0.755951 O\n0.565955 0.119284 0.357640 O\n0.271434 0.015483 0.338411 O\n0.683023 0.521434 0.755951 O\n0.484517 0.228566 0.661589 O\n0.793610 0.731413 0.357086 O\n0.686524 0.124327 0.142914 O\n0.869284 0.011643 0.053329 O\n0.380716 0.934045 0.642360 O\n0.293610 0.936524 0.062197 O\n0.984517 0.322928 0.255951 O\n0.481413 0.624327 0.437803 O\n0.458315 0.511643 0.142360 O\n0.183023 0.427072 0.161589 O\n0.374327 0.436524 0.642914 O\n0.186524 0.043610 0.562197 O\n0.875673 0.018587 0.562197 O\n0.791685 0.434045 0.553329 O\n0.456390 0.313476 0.437803 O\n0.369284 0.315955 0.857640 O\n0.880716 0.238357 0.446671 O\n0.063476 0.125673 0.357086 O\n0.768587 0.706390 0.642914 O\n0.265483 0.021434 0.838411 O\n0.066977 0.728566 0.744049 O\n0.478566 0.234517 0.161589 O\n0.184045 0.130716 0.142360 O\n0.177072 0.515483 0.744049 O\n0.988357 0.041685 0.857640 O\n0.771434 0.433023 0.255951 O\n0.261643 0.619284 0.553329 O\n0.065955 0.708315 0.446671 O\n0.072928 0.316977 0.838411 O\n0.981413 0.543610 0.857086 O\n",
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{
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"structure_string": "Ba4 Na4 Ce4 W4 O24\n1.0\n8.496335 0.000000 0.000000\n0.000000 8.456740 0.000000\n0.000000 0.000000 8.433771\nBa Na Ce W O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 -0.000000 Ba\n0.500000 -0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 -0.000000 Na\n0.000000 -0.000000 0.500000 Na\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.750000 0.250000 Ce\n0.750000 0.250000 0.250000 Ce\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.010639 0.229233 0.286012 O\n0.989361 0.770767 0.286012 O\n0.989361 0.229233 0.713988 O\n0.010639 0.770767 0.713988 O\n0.263245 0.010081 0.219664 O\n0.263245 0.989919 0.780336 O\n0.736755 0.989919 0.219664 O\n0.736755 0.010081 0.780336 O\n0.211349 0.269683 0.022116 O\n0.788651 0.269683 0.977884 O\n0.211349 0.730317 0.977884 O\n0.788651 0.730317 0.022116 O\n0.489361 0.270767 0.213988 O\n0.510639 0.729233 0.213988 O\n0.510639 0.270767 0.786012 O\n0.489361 0.729233 0.786012 O\n0.236755 0.489919 0.280336 O\n0.236755 0.510081 0.719664 O\n0.763245 0.510081 0.280336 O\n0.763245 0.489919 0.719664 O\n0.288651 0.230317 0.477884 O\n0.711349 0.230317 0.522116 O\n0.288651 0.769683 0.522116 O\n0.711349 0.769683 0.477884 O\n",
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{
"id": "mp-766450",
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"structure_string": "Ni12 O14\n1.0\n-4.377653 -2.561401 0.020809\n0.005870 3.366116 4.744869\n-2.933214 6.895796 -4.864309\nNi O\n12 14\ndirect\n0.856554 0.214040 0.713141 Ni\n0.845523 0.710727 0.711374 Ni\n0.716773 0.430734 0.424490 Ni\n0.426084 0.854980 0.861224 Ni\n0.571429 0.142857 0.142857 Ni\n0.571429 0.642857 0.142857 Ni\n0.286303 0.071674 0.572574 Ni\n0.297335 0.574988 0.574340 Ni\n0.131029 0.278745 0.288781 Ni\n0.148044 0.789623 0.290240 Ni\n0.011828 0.006969 0.996933 Ni\n0.994813 0.496091 0.995475 Ni\n0.034549 0.738127 0.504833 O\n0.736428 0.166197 0.931249 O\n0.736288 0.704196 0.940567 O\n0.861788 0.459663 0.217289 O\n0.873688 0.973432 0.203328 O\n0.580142 0.411647 0.628906 O\n0.562715 0.874067 0.656808 O\n0.406429 0.119517 0.354465 O\n0.406569 0.581518 0.345147 O\n0.113844 0.006864 0.775977 O\n0.108308 0.547587 0.780881 O\n0.269170 0.312282 0.082386 O\n0.281069 0.826051 0.068425 O\n0.029014 0.278850 0.509737 O\n",
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{
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"structure_string": "Nb4 Ni8 B4 O24\n1.0\n4.539391 0.000000 0.000000\n0.000000 8.732151 0.000000\n0.000000 0.000000 10.216978\nNb Ni B O\n4 8 4 24\ndirect\n0.524937 0.750000 0.419813 Nb\n0.024937 0.250000 0.080187 Nb\n0.475063 0.250000 0.580187 Nb\n0.975063 0.750000 0.919813 Nb\n0.519751 0.929932 0.135959 Ni\n0.019751 0.070068 0.364041 Ni\n0.480249 0.429932 0.864041 Ni\n0.980249 0.570068 0.635959 Ni\n0.019751 0.429932 0.364041 Ni\n0.519751 0.570068 0.135959 Ni\n0.980249 0.929932 0.635959 Ni\n0.480249 0.070068 0.864041 Ni\n0.409988 0.750000 0.726286 B\n0.909988 0.250000 0.773714 B\n0.590012 0.250000 0.273714 B\n0.090012 0.750000 0.226286 B\n0.240020 0.083212 0.538478 O\n0.740020 0.916788 0.961522 O\n0.759980 0.583212 0.461522 O\n0.259980 0.416788 0.038478 O\n0.759980 0.916788 0.461522 O\n0.259980 0.083212 0.038478 O\n0.240020 0.416788 0.538478 O\n0.740020 0.583212 0.961522 O\n0.771389 0.750000 0.227054 O\n0.271389 0.250000 0.272946 O\n0.228611 0.250000 0.772946 O\n0.728611 0.750000 0.727054 O\n0.216071 0.750000 0.085476 O\n0.716071 0.250000 0.414524 O\n0.783929 0.250000 0.914524 O\n0.283929 0.750000 0.585476 O\n0.238787 0.616004 0.291564 O\n0.738787 0.383996 0.208436 O\n0.761213 0.116004 0.708436 O\n0.261213 0.883996 0.791564 O\n0.761213 0.383996 0.708436 O\n0.261213 0.616004 0.791564 O\n0.238787 0.883996 0.291564 O\n0.738787 0.116004 0.208436 O\n",
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{
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"structure_string": "Sc1 Zn12\n1.0\n-4.417807 4.417807 2.572890\n4.417807 -4.417807 2.572890\n4.417807 4.417807 -2.572890\nSc Zn\n1 12\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.351874 0.000000 0.351874 Zn\n0.000000 0.648126 0.648126 Zn\n0.000000 0.351874 0.351874 Zn\n0.648126 0.000000 0.648126 Zn\n0.288128 0.500000 0.788128 Zn\n0.500000 0.711872 0.211872 Zn\n0.500000 0.288128 0.788128 Zn\n0.711872 0.500000 0.211872 Zn\n",
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{
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{
"id": "mp-680417",
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"structure_string": "Ce8 Sb8 S16 Br16\n1.0\n9.422184 0.000000 0.000000\n0.000000 8.869087 0.000000\n0.000000 4.423156 17.470159\nCe Sb S Br\n8 8 16 16\ndirect\n0.132055 0.122263 0.756539 Ce\n0.136846 0.613145 0.763273 Ce\n0.636846 0.386855 0.736727 Ce\n0.632055 0.877737 0.743461 Ce\n0.367945 0.122263 0.256539 Ce\n0.867945 0.877737 0.243461 Ce\n0.863154 0.386855 0.236727 Ce\n0.363154 0.613145 0.263273 Ce\n0.458660 0.728704 0.549997 Sb\n0.660136 0.724075 0.058063 Sb\n0.160136 0.275925 0.441937 Sb\n0.839864 0.724075 0.558063 Sb\n0.541340 0.271296 0.450003 Sb\n0.041340 0.728704 0.049997 Sb\n0.958660 0.271296 0.950003 Sb\n0.339864 0.275925 0.941937 Sb\n0.060692 0.662154 0.190537 S\n0.849148 0.519583 0.056149 S\n0.560692 0.337846 0.309463 S\n0.849698 0.929834 0.053931 S\n0.650302 0.929834 0.553931 S\n0.150852 0.480417 0.943851 S\n0.664562 0.659796 0.197942 S\n0.835438 0.659796 0.697942 S\n0.335438 0.340204 0.802058 S\n0.650852 0.519583 0.556149 S\n0.439308 0.662154 0.690537 S\n0.349698 0.070166 0.446069 S\n0.349148 0.480417 0.443851 S\n0.150302 0.070166 0.946069 S\n0.939308 0.337846 0.809463 S\n0.164562 0.340204 0.302058 S\n0.445883 0.161877 0.662265 Br\n0.871709 0.556963 0.368178 Br\n0.628291 0.556963 0.868178 Br\n0.174057 0.843239 0.330839 Br\n0.369805 0.919988 0.136902 Br\n0.630195 0.080012 0.863098 Br\n0.128291 0.443037 0.631822 Br\n0.825943 0.156761 0.669161 Br\n0.054117 0.161877 0.162265 Br\n0.554117 0.838123 0.337735 Br\n0.371709 0.443037 0.131822 Br\n0.869805 0.080012 0.363098 Br\n0.674057 0.156761 0.169161 Br\n0.325943 0.843239 0.830839 Br\n0.130195 0.919988 0.636902 Br\n0.945883 0.838123 0.837735 Br\n",
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