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{
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{
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"structure_string": "Co7 Re17 O48\n1.0\n5.768994 0.000000 0.000000\n2.867131 6.737094 0.000000\n2.879701 0.069330 20.511471\nCo Re O\n7 17 48\ndirect\n0.483226 0.001216 0.002698 Co\n0.669757 0.014693 0.159736 Co\n0.665063 0.505351 0.666880 Co\n0.000040 0.007664 0.492572 Co\n0.843583 0.490069 0.339585 Co\n0.992576 0.505096 0.999706 Co\n0.174110 0.489088 0.666621 Co\n0.002448 0.999542 0.000361 Re\n0.332498 0.507643 0.328485 Re\n0.165853 0.996974 0.166570 Re\n0.499934 0.496997 0.999463 Re\n0.809777 0.001029 0.331333 Re\n0.135622 0.502778 0.166208 Re\n0.507929 0.990254 0.503704 Re\n0.141617 0.998234 0.668004 Re\n0.481017 0.499663 0.500294 Re\n0.694630 0.506473 0.166680 Re\n0.355876 0.992499 0.834805 Re\n0.364907 0.997473 0.331652 Re\n0.798702 0.005266 0.839180 Re\n0.860972 0.489451 0.833752 Re\n0.029880 0.497236 0.500741 Re\n0.695542 0.998007 0.666351 Re\n0.295338 0.508586 0.833830 Re\n0.511867 0.796335 0.165916 O\n0.838079 0.289338 0.998918 O\n0.619141 0.699015 0.998421 O\n0.385772 0.500892 0.230005 O\n0.729239 0.997293 0.062450 O\n0.118132 0.003150 0.266541 O\n0.452008 0.498078 0.101351 O\n0.188884 0.000645 0.071296 O\n0.616555 0.212198 0.499248 O\n0.994331 0.714754 0.330173 O\n0.225955 0.285385 0.332566 O\n0.287617 0.214080 0.164598 O\n0.364023 0.304895 0.000916 O\n0.838558 0.219822 0.167296 O\n0.162169 0.710365 0.999080 O\n0.726082 0.492773 0.562172 O\n0.053637 0.006821 0.391851 O\n0.450480 0.997978 0.602654 O\n0.789255 0.493165 0.439492 O\n0.557064 0.986942 0.407467 O\n0.882277 0.502828 0.241136 O\n0.947085 0.511185 0.092818 O\n0.162591 0.805192 0.834555 O\n0.301072 0.722423 0.668000 O\n0.537524 0.275213 0.668805 O\n0.850894 0.786025 0.502556 O\n0.481776 0.706345 0.330688 O\n0.177654 0.208875 0.499507 O\n0.040083 0.787295 0.167121 O\n0.666273 0.290913 0.332620 O\n0.041927 0.498468 0.906932 O\n0.392734 0.993136 0.733661 O\n0.780859 0.001590 0.932946 O\n0.116632 0.497100 0.760131 O\n0.872361 0.999459 0.742073 O\n0.221446 0.495168 0.573189 O\n0.284296 0.511463 0.424879 O\n0.623039 0.002592 0.257768 O\n0.992773 0.192240 0.833272 O\n0.811972 0.720887 0.666770 O\n0.455155 0.222192 0.835566 O\n0.358331 0.791262 0.501565 O\n0.022607 0.274099 0.669591 O\n0.547864 0.495508 0.898889 O\n0.605666 0.503082 0.775456 O\n0.953110 0.004930 0.593914 O\n0.700251 0.775524 0.836404 O\n0.262003 0.999806 0.927566 O\n",
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{
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"structure_string": "La1 Al1 O3\n1.0\n3.811266 0.000000 0.000000\n0.000000 3.811266 0.000000\n0.000000 0.000000 3.811266\nLa Al O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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{
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"structure_string": "Sr2 Ca6 Co7 Cu1 O24\n1.0\n5.384435 -5.385744 0.000000\n5.384435 5.385744 0.000000\n0.000000 0.000000 7.636329\nSr Ca Co Cu O\n2 6 7 1 24\ndirect\n0.249292 0.249292 0.751189 Sr\n0.249292 0.249292 0.248811 Sr\n0.750802 0.249086 0.752320 Ca\n0.751176 0.751176 0.752206 Ca\n0.249086 0.750802 0.752320 Ca\n0.750802 0.249086 0.247680 Ca\n0.751176 0.751176 0.247794 Ca\n0.249086 0.750802 0.247680 Ca\n0.501550 0.998759 0.000000 Co\n0.998759 0.501550 0.000000 Co\n0.501234 0.501234 0.000000 Co\n0.998597 0.998597 0.500000 Co\n0.501209 0.998682 0.500000 Co\n0.998682 0.501209 0.500000 Co\n0.501554 0.501554 0.500000 Co\n0.999561 0.999561 0.000000 Cu\n0.996150 0.996150 0.746082 O\n0.503734 0.996370 0.747687 O\n0.996370 0.503734 0.747687 O\n0.503059 0.503059 0.754350 O\n0.996150 0.996150 0.253918 O\n0.503734 0.996370 0.252313 O\n0.996370 0.503734 0.252313 O\n0.503059 0.503059 0.245650 O\n0.993316 0.254353 0.000000 O\n0.505843 0.251392 0.000000 O\n0.998849 0.746577 0.000000 O\n0.501822 0.748667 0.000000 O\n0.993690 0.252543 0.500000 O\n0.504242 0.249895 0.500000 O\n0.998949 0.747477 0.500000 O\n0.502099 0.749802 0.500000 O\n0.746577 0.998849 0.000000 O\n0.254353 0.993316 0.000000 O\n0.748667 0.501822 0.000000 O\n0.251392 0.505843 0.000000 O\n0.747477 0.998949 0.500000 O\n0.252543 0.993690 0.500000 O\n0.749802 0.502099 0.500000 O\n0.249895 0.504242 0.500000 O\n",
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{
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{
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{
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"structure_string": "Na3 Li1 Fe4 Si8 O24\n1.0\n8.865361 0.000000 0.000000\n0.000000 5.363603 0.000000\n0.000000 2.303751 9.314932\nNa Li Fe Si O\n3 1 4 8 24\ndirect\n0.296698 0.000000 0.000000 Na\n0.203274 0.000000 0.500000 Na\n0.703607 0.500000 0.000000 Na\n0.781851 0.500000 0.500000 Li\n0.400065 0.500000 0.500000 Fe\n0.900171 0.000000 0.000000 Fe\n0.602804 0.000000 0.500000 Fe\n0.099879 0.500000 0.000000 Fe\n0.087990 0.698973 0.292408 Si\n0.590799 0.199412 0.790080 Si\n0.087990 0.301027 0.707592 Si\n0.590799 0.800588 0.209920 Si\n0.910251 0.798499 0.706781 Si\n0.410837 0.302057 0.209577 Si\n0.910251 0.201501 0.293219 Si\n0.410837 0.697943 0.790423 Si\n0.994233 0.920647 0.352489 O\n0.494778 0.417177 0.851622 O\n0.994233 0.079353 0.647511 O\n0.494778 0.582823 0.148378 O\n0.002502 0.578544 0.644535 O\n0.505904 0.080974 0.149906 O\n0.002502 0.421456 0.355465 O\n0.505904 0.919026 0.850094 O\n0.255489 0.691960 0.359954 O\n0.756179 0.191524 0.860926 O\n0.255489 0.308040 0.640046 O\n0.756179 0.808476 0.139074 O\n0.745325 0.796228 0.635467 O\n0.244555 0.307756 0.140124 O\n0.745325 0.203772 0.364533 O\n0.244555 0.692244 0.859876 O\n0.078226 0.773785 0.115408 O\n0.586040 0.279676 0.613210 O\n0.078226 0.226215 0.884592 O\n0.586040 0.720324 0.386790 O\n0.920954 0.724719 0.883722 O\n0.421763 0.224808 0.385978 O\n0.920954 0.275281 0.116278 O\n0.421763 0.775192 0.614022 O\n",
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"formula_full": "Na3 Li1 Fe4 Si8 O24",
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}