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{
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{
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{
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"structure_string": "Sm8 Mg4 Se16\n1.0\n8.297797 0.000000 0.000000\n0.000000 7.768639 0.000000\n0.000000 0.000000 12.291104\nSm Mg Se\n8 4 16\ndirect\n0.053084 0.750000 0.313427 Sm\n0.946916 0.250000 0.686573 Sm\n0.446916 0.250000 0.813427 Sm\n0.553084 0.750000 0.186573 Sm\n0.061273 0.250000 0.027454 Sm\n0.938727 0.750000 0.972546 Sm\n0.438727 0.750000 0.527454 Sm\n0.561273 0.250000 0.472546 Sm\n0.179424 0.250000 0.409416 Mg\n0.820576 0.750000 0.590584 Mg\n0.320576 0.750000 0.909416 Mg\n0.679424 0.250000 0.090584 Mg\n0.136331 0.500096 0.843644 Se\n0.863669 0.499904 0.156356 Se\n0.363669 0.499904 0.343644 Se\n0.636331 0.500096 0.656356 Se\n0.636331 0.999904 0.656356 Se\n0.363669 0.000096 0.343644 Se\n0.863669 0.000096 0.156356 Se\n0.136331 0.999904 0.843644 Se\n0.891376 0.250000 0.453843 Se\n0.108624 0.750000 0.546157 Se\n0.608624 0.750000 0.953843 Se\n0.391376 0.250000 0.046157 Se\n0.224098 0.750000 0.112260 Se\n0.775902 0.250000 0.887740 Se\n0.275902 0.250000 0.612260 Se\n0.724098 0.750000 0.387740 Se\n",
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{
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"structure_string": "Sr8 P8 O28\n1.0\n5.466938 0.000000 0.000000\n0.000000 9.027676 0.000000\n0.000000 0.000000 13.319892\nSr P O\n8 8 28\ndirect\n0.250000 0.126062 0.586747 Sr\n0.750000 0.873938 0.413253 Sr\n0.250000 0.626062 0.913253 Sr\n0.750000 0.373938 0.086747 Sr\n0.250000 0.173269 0.260747 Sr\n0.750000 0.826731 0.739253 Sr\n0.250000 0.673269 0.239253 Sr\n0.750000 0.326731 0.760747 Sr\n0.750000 0.723362 0.035254 P\n0.250000 0.276638 0.964746 P\n0.750000 0.223362 0.464746 P\n0.250000 0.776638 0.535254 P\n0.750000 0.967426 0.182485 P\n0.250000 0.032574 0.817515 P\n0.750000 0.467426 0.317515 P\n0.250000 0.532574 0.682485 P\n0.750000 0.133882 0.165477 O\n0.250000 0.866118 0.834523 O\n0.750000 0.633882 0.334523 O\n0.250000 0.366118 0.665477 O\n0.750000 0.726575 0.920614 O\n0.250000 0.273425 0.079386 O\n0.750000 0.226575 0.579386 O\n0.250000 0.773425 0.420614 O\n0.481045 0.353990 0.923907 O\n0.981045 0.646010 0.076093 O\n0.018955 0.853990 0.576093 O\n0.518955 0.146010 0.423907 O\n0.518955 0.646010 0.076093 O\n0.018955 0.353990 0.923907 O\n0.981045 0.146010 0.423907 O\n0.481045 0.853990 0.576093 O\n0.250000 0.605481 0.570496 O\n0.750000 0.394519 0.429504 O\n0.250000 0.105481 0.929504 O\n0.750000 0.894519 0.070496 O\n0.482093 0.583206 0.737946 O\n0.982093 0.416794 0.262054 O\n0.017907 0.083206 0.762054 O\n0.517907 0.916794 0.237945 O\n0.517907 0.416794 0.262054 O\n0.017907 0.583206 0.737946 O\n0.982093 0.916794 0.237945 O\n0.482093 0.083206 0.762054 O\n",
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{
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"structure_string": "Y1 Th9 Mg1 O20\n1.0\n6.568794 0.027998 4.536255\n-0.841165 6.585151 18.907983\n0.007683 0.044222 10.573700\nY Th Mg O\n1 9 1 20\ndirect\n0.030578 0.053601 0.912821 Y\n0.993092 0.197821 0.007768 Th\n0.491369 0.001082 0.998448 Th\n0.005250 0.375741 0.043114 Th\n0.503488 0.194208 0.006812 Th\n0.994418 0.606860 0.983265 Th\n0.504441 0.405374 0.989082 Th\n0.000229 0.792375 0.002877 Th\n0.488543 0.590394 0.025074 Th\n0.486648 0.796978 0.010022 Th\n0.811840 0.760168 0.398693 Mg\n0.123164 0.139788 0.268644 O\n0.125117 0.356640 0.237684 O\n0.619583 0.143706 0.260870 O\n0.373396 0.056353 0.739039 O\n0.122358 0.547707 0.253793 O\n0.621625 0.336293 0.278913 O\n0.371359 0.245667 0.761090 O\n0.115420 0.737583 0.273809 O\n0.878086 0.034023 0.780632 O\n0.124082 0.959046 0.234932 O\n0.617854 0.547504 0.255116 O\n0.371556 0.440358 0.766283 O\n0.874933 0.260819 0.732627 O\n0.359594 0.649317 0.756362 O\n0.616807 0.749132 0.244274 O\n0.635787 0.943972 0.252844 O\n0.875193 0.436592 0.769167 O\n0.370876 0.844878 0.756816 O\n0.871562 0.648696 0.747475 O\n0.871753 0.847323 0.751656 O\n",
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