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{
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{
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{
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{
"id": "mp-559085",
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"structure_string": "Y16 W8 O48\n1.0\n5.300774 0.000000 0.000000\n0.000000 8.722919 0.000000\n0.000000 0.000000 21.118986\nY W O\n16 8 48\ndirect\n0.990068 0.256603 0.799398 Y\n0.490068 0.243397 0.200602 Y\n0.009932 0.756603 0.700602 Y\n0.509932 0.743397 0.299398 Y\n0.960351 0.408761 0.564350 Y\n0.460351 0.091239 0.435650 Y\n0.039649 0.908761 0.935650 Y\n0.539649 0.591239 0.064350 Y\n0.412789 0.105437 0.665992 Y\n0.912789 0.394563 0.334008 Y\n0.587211 0.605437 0.834008 Y\n0.087211 0.894563 0.165992 Y\n0.463840 0.744778 0.568742 Y\n0.963840 0.755222 0.431258 Y\n0.536160 0.244778 0.931258 Y\n0.036160 0.255222 0.068742 Y\n0.485811 0.478500 0.688249 W\n0.985811 0.021500 0.311751 W\n0.514189 0.978500 0.811751 W\n0.014189 0.521500 0.188249 W\n0.063130 0.515702 0.943029 W\n0.563130 0.984298 0.056971 W\n0.936870 0.015702 0.556971 W\n0.436870 0.484298 0.443029 W\n0.291286 0.128781 0.857793 O\n0.791286 0.371219 0.142207 O\n0.708714 0.628781 0.642207 O\n0.208714 0.871219 0.357793 O\n0.797519 0.046148 0.122003 O\n0.297519 0.453852 0.877997 O\n0.202481 0.546148 0.377997 O\n0.702481 0.953852 0.622003 O\n0.307702 0.042697 0.996707 O\n0.807702 0.457303 0.003293 O\n0.692298 0.542697 0.503293 O\n0.192298 0.957303 0.496707 O\n0.325385 0.111139 0.118449 O\n0.825385 0.388861 0.881551 O\n0.674615 0.611139 0.381551 O\n0.174615 0.888861 0.618449 O\n0.775974 0.126523 0.004038 O\n0.275974 0.373477 0.995962 O\n0.224026 0.626523 0.495962 O\n0.724026 0.873477 0.504038 O\n0.247904 0.969249 0.748108 O\n0.747904 0.530751 0.251892 O\n0.752096 0.469249 0.751892 O\n0.252096 0.030751 0.248108 O\n0.321096 0.624478 0.745843 O\n0.821096 0.875522 0.254157 O\n0.678904 0.124478 0.754157 O\n0.178904 0.375522 0.245843 O\n0.391814 0.818364 0.098576 O\n0.891814 0.681636 0.901424 O\n0.608186 0.318364 0.401424 O\n0.108186 0.181636 0.598576 O\n0.728885 0.818268 0.778482 O\n0.228885 0.681732 0.221518 O\n0.271115 0.318268 0.721518 O\n0.771115 0.181732 0.278482 O\n0.371713 0.825819 0.866488 O\n0.871713 0.674181 0.133512 O\n0.628287 0.325819 0.633512 O\n0.128287 0.174181 0.366488 O\n0.228649 0.552670 0.627006 O\n0.728649 0.947330 0.372994 O\n0.771351 0.052670 0.872994 O\n0.271351 0.447330 0.127006 O\n0.261751 0.326846 0.485009 O\n0.761751 0.173154 0.514991 O\n0.738249 0.826847 0.014991 O\n0.238249 0.673153 0.985009 O\n",
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{
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"structure_string": "Zr10 Sb6 As2\n1.0\n4.340557 -7.518065 0.000000\n4.340557 7.518065 0.000000\n0.000000 0.000000 5.945349\nZr Sb As\n10 6 2\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.736298 0.736298 0.750000 Zr\n0.263702 0.000000 0.750000 Zr\n0.000000 0.263702 0.750000 Zr\n0.263702 0.263702 0.250000 Zr\n0.736298 0.000000 0.250000 Zr\n0.000000 0.736298 0.250000 Zr\n0.394680 0.394680 0.750000 Sb\n0.605320 0.000000 0.750000 Sb\n0.000000 0.605320 0.750000 Sb\n0.605320 0.605320 0.250000 Sb\n0.394680 0.000000 0.250000 Sb\n0.000000 0.394680 0.250000 Sb\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 As\n",
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{
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"structure_string": "Nd4 Mo31 O56\n1.0\n11.736151 -0.315887 11.630526\n5.076892 8.052766 5.042917\n-0.817965 -0.145517 12.441995\nNd Mo O\n4 31 56\ndirect\n0.300895 0.980474 0.495029 Nd\n0.553775 0.473525 0.988923 Nd\n0.798761 0.980706 0.507748 Nd\n0.032918 0.443404 0.014454 Nd\n0.007200 0.010745 0.141162 Mo\n0.024788 0.117357 0.372431 Mo\n0.250682 0.246745 0.147555 Mo\n0.141318 0.621763 0.132206 Mo\n0.015207 0.229667 0.871428 Mo\n0.502353 0.008284 0.143779 Mo\n0.001980 0.599784 0.651783 Mo\n0.255661 0.373597 0.375272 Mo\n0.155499 0.739139 0.353767 Mo\n0.256074 0.333510 0.644800 Mo\n0.526469 0.119769 0.371246 Mo\n0.130220 0.735902 0.628075 Mo\n0.410100 0.505767 0.348769 Mo\n0.385993 0.865442 0.133611 Mo\n0.400503 0.099059 0.856626 Mo\n0.390453 0.459167 0.635569 Mo\n0.756251 0.258247 0.140372 Mo\n0.151552 0.834100 0.855578 Mo\n0.510462 0.238136 0.875189 Mo\n0.506360 0.599281 0.642144 Mo\n0.277896 0.958332 0.869353 Mo\n0.765367 0.368895 0.368925 Mo\n0.656928 0.742374 0.337189 Mo\n0.754731 0.333167 0.644689 Mo\n0.635115 0.740684 0.621478 Mo\n0.898406 0.510026 0.357741 Mo\n0.883323 0.874824 0.129994 Mo\n0.905348 0.094660 0.851822 Mo\n0.893641 0.457177 0.632339 Mo\n0.649723 0.817068 0.869576 Mo\n0.769797 0.963479 0.874468 Mo\n0.082344 0.166118 0.990991 O\n0.221444 0.276625 -0.000064 O\n0.207412 0.075556 0.242369 O\n0.079922 0.457962 0.248910 O\n0.316574 0.392904 0.034152 O\n0.075496 0.426103 0.532398 O\n0.303709 0.188842 0.289742 O\n0.188182 0.813069 0.000796 O\n0.201205 0.015549 0.747204 O\n0.208129 0.561689 0.255479 O\n0.059128 0.409626 0.786795 O\n0.072918 0.954558 0.260933 O\n0.328186 0.179927 0.494049 O\n0.578191 0.161685 0.001806 O\n0.435677 0.343289 0.267819 O\n0.098894 0.892990 0.482910 O\n0.336825 0.125215 0.747584 O\n0.353624 0.677386 0.206587 O\n0.194929 0.518778 0.748337 O\n0.733447 0.276763 0.991371 O\n0.438397 0.312835 0.498832 O\n0.091022 0.908817 0.718266 O\n0.067498 0.693905 0.006412 O\n0.711158 0.081129 0.242922 O\n0.320941 0.650258 0.502709 O\n0.576668 0.461359 0.218091 O\n0.453557 0.257273 0.754686 O\n0.416175 0.868306 0.262119 O\n0.333186 0.632271 0.745771 O\n0.844955 0.376276 0.021370 O\n0.571189 0.432617 0.532188 O\n0.808575 0.188716 0.282146 O\n0.476932 0.776449 0.496635 O\n0.680772 0.827061 0.992662 O\n0.697348 0.003671 0.755346 O\n0.744969 0.564028 0.232231 O\n0.556225 0.418799 0.787421 O\n0.572526 0.960412 0.257640 O\n0.827840 0.171833 0.502233 O\n0.466101 0.755781 0.745972 O\n0.955146 0.329990 0.249943 O\n0.609695 0.887377 0.469263 O\n0.345714 0.938573 0.979090 O\n0.826347 0.133341 0.758039 O\n0.851844 0.687228 0.207674 O\n0.698500 0.517756 0.746400 O\n0.935861 0.311292 0.501938 O\n0.591604 0.906297 0.728634 O\n0.562816 0.693864 0.986079 O\n0.820307 0.661282 0.510656 O\n0.964315 0.251544 0.750175 O\n0.945095 0.844118 0.248658 O\n0.831992 0.623171 0.754440 O\n0.972633 0.770548 0.509407 O\n0.959779 0.754509 0.754540 O\n0.848736 0.936954 0.977875 O\n",
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{
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{
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"formula_full": "Sm4 Ge4 O14",
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{
"id": "mp-770886",
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"structure_string": "Li12 Fe4 O12\n1.0\n5.886026 0.000000 0.000000\n0.000000 5.904740 0.000000\n0.000000 0.000000 8.429488\nLi Fe O\n12 4 12\ndirect\n0.482529 0.994427 0.751338 Li\n0.017471 0.994427 0.751338 Li\n0.750000 0.255505 0.475760 Li\n0.250000 0.244495 0.975760 Li\n0.517471 0.505573 0.251338 Li\n0.982529 0.505573 0.251338 Li\n0.482529 0.494427 0.748662 Li\n0.017471 0.494427 0.748662 Li\n0.750000 0.755505 0.024240 Li\n0.250000 0.744495 0.524240 Li\n0.982529 0.005573 0.248662 Li\n0.517471 0.005573 0.248662 Li\n0.750000 0.218980 0.017188 Fe\n0.250000 0.281020 0.517188 Fe\n0.750000 0.718980 0.482812 Fe\n0.250000 0.781020 0.982812 Fe\n0.000000 0.000000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.250000 0.023057 0.390244 O\n0.250000 0.240011 0.737783 O\n0.750000 0.259989 0.237783 O\n0.750000 0.476943 0.890244 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.250000 0.523057 0.109756 O\n0.250000 0.740011 0.762217 O\n0.750000 0.759989 0.262217 O\n0.750000 0.976943 0.609756 O\n",
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"formula_full": "Li12 Fe4 O12",
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}