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"structure_string": "Nd4 B4 O12\n1.0\n6.312765 -0.116882 -0.202045\n-1.999625 6.286765 -0.043790\n-1.939403 -1.029451 6.243841\nNd B O\n4 4 12\ndirect\n0.432152 0.808587 0.211284 Nd\n0.567850 0.191414 0.788717 Nd\n0.072852 0.276594 0.358681 Nd\n0.927151 0.723408 0.641320 Nd\n0.505888 0.278268 0.278126 B\n0.494114 0.721733 0.721875 B\n0.969961 0.756834 0.207210 B\n0.030041 0.243168 0.792791 B\n0.382536 0.129745 0.381365 O\n0.617467 0.870257 0.618636 O\n0.989707 0.242451 0.983218 O\n0.010296 0.757550 0.016782 O\n0.628445 0.200590 0.170295 O\n0.493269 0.480704 0.285658 O\n0.852025 0.874479 0.277825 O\n0.147978 0.125523 0.722175 O\n0.914466 0.351780 0.643625 O\n0.506734 0.519297 0.714343 O\n0.371558 0.799411 0.829705 O\n0.085536 0.648221 0.356375 O\n",
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{
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"updated_at": "2022-09-04T14:38:29.641900Z",
"structure_string": "Sc7 B1 Cl12\n1.0\n7.704333 -0.010425 -2.409751\n-3.275772 6.973248 -2.409750\n-0.006631 -0.010426 8.072398\nSc B Cl\n7 1 12\ndirect\n0.500000 0.500000 0.500000 Sc\n0.314858 0.030718 0.104614 Sc\n0.104614 0.314858 0.030718 Sc\n0.030718 0.104614 0.314858 Sc\n0.685142 0.969282 0.895386 Sc\n0.895386 0.685141 0.969282 Sc\n0.969282 0.895385 0.685142 Sc\n0.000000 0.000000 0.000000 B\n0.772408 0.313812 0.923408 Cl\n0.614166 0.844453 0.534668 Cl\n0.686187 0.076591 0.227592 Cl\n0.227592 0.686188 0.076592 Cl\n0.076591 0.227591 0.686188 Cl\n0.465332 0.385833 0.155546 Cl\n0.155547 0.465332 0.385834 Cl\n0.385833 0.155546 0.465332 Cl\n0.534668 0.614166 0.844454 Cl\n0.844453 0.534667 0.614167 Cl\n0.313812 0.923408 0.772409 Cl\n0.923408 0.772408 0.313812 Cl\n",
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"structure_string": "Li3 Fe1 Sb4 O12\n1.0\n5.166202 0.017412 -0.001664\n0.030973 5.627125 0.036250\n0.004390 0.649411 7.616235\nLi Fe Sb O\n3 1 4 12\ndirect\n0.497940 0.057752 0.790993 Li\n0.000457 0.572159 0.780624 Li\n0.498821 0.038343 0.277267 Li\n0.994348 0.613659 0.300577 Fe\n-0.000845 -0.005572 0.994083 Sb\n0.502940 0.483347 0.498587 Sb\n0.006705 0.021721 0.509518 Sb\n0.493368 0.487066 -0.002434 Sb\n0.299678 0.785521 0.904338 O\n0.152574 0.635509 0.530004 O\n0.832173 0.651397 0.068877 O\n0.321962 0.459769 0.241934 O\n0.641587 0.471148 0.748041 O\n0.851351 0.955154 0.761189 O\n0.819727 0.336960 0.383694 O\n0.664450 0.158036 0.057728 O\n0.141524 0.928590 0.236930 O\n0.705392 0.775534 0.395074 O\n0.193370 0.289429 0.906475 O\n0.382467 0.143683 0.546101 O\n",
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{
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"created_at": "2022-09-04T14:38:08.933922Z",
"updated_at": "2022-09-04T14:38:08.933938Z",
"structure_string": "Rb4 Sn4 Br12\n1.0\n4.510942 -0.000000 0.000000\n0.000000 9.368838 0.000000\n0.000000 0.000000 16.271703\nRb Sn Br\n4 4 12\ndirect\n0.750000 0.091053 0.329706 Rb\n0.250000 0.908947 0.670294 Rb\n0.750000 0.591053 0.170294 Rb\n0.250000 0.408947 0.829706 Rb\n0.250000 0.160905 0.062984 Sn\n0.750000 0.839095 0.937015 Sn\n0.250000 0.660905 0.437016 Sn\n0.750000 0.339095 0.562984 Sn\n0.750000 0.692793 0.788439 Br\n0.250000 0.307207 0.211561 Br\n0.750000 0.470648 0.376340 Br\n0.250000 0.529352 0.623660 Br\n0.750000 0.970648 0.123660 Br\n0.250000 0.660243 0.004392 Br\n0.250000 0.160243 0.495608 Br\n0.750000 0.839758 0.504392 Br\n0.250000 0.807207 0.288439 Br\n0.750000 0.339757 0.995608 Br\n0.250000 0.029352 0.876340 Br\n0.750000 0.192793 0.711561 Br\n",
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{
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"structure_string": "Sr2 Nd1 Sm1 Mn4 O12\n1.0\n5.431010 0.003980 0.046999\n0.050797 5.430774 0.046999\n0.006683 0.006626 7.716175\nSr Nd Sm Mn O\n2 1 1 4 12\ndirect\n0.749736 0.749737 0.999739 Sr\n0.249791 0.249792 0.499846 Sr\n0.753474 0.753474 0.504655 Nd\n0.256769 0.256768 0.005670 Sm\n0.250586 0.750748 0.751274 Mn\n0.750382 0.250044 0.249610 Mn\n0.250044 0.750381 0.249610 Mn\n0.750748 0.250586 0.751274 Mn\n0.473859 0.473859 0.724456 O\n0.974559 0.974558 0.222965 O\n0.034387 0.464147 0.240001 O\n0.534230 0.965771 0.742726 O\n0.209040 0.776159 0.499674 O\n0.965771 0.534230 0.742726 O\n0.776159 0.209040 0.499674 O\n0.276501 0.703459 0.999588 O\n0.039815 0.039816 0.790601 O\n0.464147 0.034387 0.240001 O\n0.703458 0.276501 0.999588 O\n0.536543 0.536543 0.286329 O\n",
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{
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"structure_string": "Ba4 Ru4 O12\n1.0\n2.887620 -5.001505 0.000000\n2.887620 5.001505 0.000000\n0.000000 -0.000000 9.552769\nBa Ru O\n4 4 12\ndirect\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.616541 Ru\n0.333333 0.666667 0.116541 Ru\n0.333333 0.666667 0.383459 Ru\n0.666667 0.333333 0.883459 Ru\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.355061 0.177530 0.750000 O\n0.822470 0.177530 0.750000 O\n0.177530 0.355061 0.250000 O\n0.822470 0.644939 0.750000 O\n0.500000 0.500000 0.500000 O\n0.644939 0.822470 0.250000 O\n0.177530 0.822470 0.250000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Sr3 Pr1 Mn4 O12\n1.0\n6.268074 -0.000000 -2.216099\n-3.134037 5.428311 -2.216099\n-0.000000 -0.000000 6.648296\nSr Pr Mn O\n3 1 4 12\ndirect\n0.499999 0.500000 -0.000000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Mn\n0.499999 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.245752 0.245752 0.491504 O\n0.754247 0.754247 0.508496 O\n0.754247 0.000000 0.245752 O\n0.245752 0.491504 0.245752 O\n0.245752 0.000000 0.754248 O\n-0.000000 0.754247 0.245752 O\n0.508495 0.754247 0.754247 O\n-0.000000 0.245752 0.754248 O\n0.245752 0.754247 -0.000000 O\n0.491504 0.245752 0.245752 O\n0.754247 0.508496 0.754247 O\n0.754247 0.245752 -0.000000 O\n",
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{
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"structure_string": "Li4 Fe4 O12\n1.0\n4.809011 -0.059093 0.035542\n2.348518 4.196968 -0.035542\n-0.729116 1.261195 9.468953\nLi Fe O\n4 4 12\ndirect\n0.993528 0.483665 0.998465 Li\n0.516336 0.006471 0.498465 Li\n0.641415 0.124871 0.002454 Li\n0.875129 0.358586 0.502454 Li\n0.084773 0.076383 0.249703 Fe\n0.418227 0.424813 0.250453 Fe\n0.575186 0.581774 0.750453 Fe\n0.923616 0.915228 0.749703 Fe\n0.726498 0.400577 0.138921 O\n0.899726 0.223224 0.861188 O\n0.776777 0.100273 0.361188 O\n0.421182 0.724363 0.357839 O\n0.599422 0.273503 0.638921 O\n0.342685 0.161326 0.138194 O\n0.081425 0.776457 0.142180 O\n0.275637 0.578819 0.857839 O\n0.661352 0.838818 0.862249 O\n0.161183 0.338648 0.362249 O\n0.223542 0.918577 0.642180 O\n0.838674 0.657317 0.638194 O\n",
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{
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"structure_string": "Ca2 Fe2 Ge4 O12\n1.0\n5.313491 -0.134119 1.044759\n1.169985 6.678923 0.867880\n-0.167074 0.166077 6.831880\nCa Fe Ge O\n2 2 4 12\ndirect\n0.750000 0.309846 0.690154 Ca\n0.250000 0.690154 0.309846 Ca\n0.749999 0.918963 0.081037 Fe\n0.250000 0.081037 0.918963 Fe\n0.770112 0.389483 0.182017 Ge\n0.729887 0.817983 0.610516 Ge\n0.229888 0.610516 0.817983 Ge\n0.270112 0.182017 0.389484 Ge\n0.637729 0.985488 0.790910 O\n0.862270 0.209090 0.014512 O\n0.646022 0.635849 0.102679 O\n0.853977 0.897320 0.364151 O\n0.353978 0.364151 0.897321 O\n0.974801 0.606303 0.675291 O\n0.025198 0.393697 0.324709 O\n0.474801 0.675291 0.606303 O\n0.137730 0.790910 0.985488 O\n0.525198 0.324709 0.393697 O\n0.146023 0.102679 0.635849 O\n0.362270 0.014512 0.209090 O\n",
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}