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{
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{
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{
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"structure_string": "Mg14 Cr1 Sn1 O16\n1.0\n8.769725 0.000000 0.000000\n0.000000 8.661071 0.000000\n0.000000 0.000000 4.362154\nMg Cr Sn O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.258036 0.500000 Mg\n0.000000 0.741964 0.500000 Mg\n0.500000 0.251463 0.500000 Mg\n0.500000 0.748537 0.500000 Mg\n0.260177 0.000000 0.500000 Mg\n0.254565 0.500000 0.500000 Mg\n0.739823 0.000000 0.500000 Mg\n0.745435 0.500000 0.500000 Mg\n0.257488 0.254771 0.000000 Mg\n0.257488 0.745229 0.000000 Mg\n0.742512 0.254771 0.000000 Mg\n0.742512 0.745229 0.000000 Mg\n0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Sn\n0.271916 0.000000 0.000000 O\n0.266344 0.500000 0.000000 O\n0.728084 0.000000 0.000000 O\n0.733656 0.500000 0.000000 O\n0.249418 0.250134 0.500000 O\n0.249418 0.749866 0.500000 O\n0.750582 0.250134 0.500000 O\n0.750582 0.749866 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.268008 0.000000 O\n0.000000 0.731992 0.000000 O\n0.500000 0.251537 0.000000 O\n0.500000 0.748463 0.000000 O\n",
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"formula_full": "Mg14 Cr1 Sn1 O16",
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{
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"structure_string": "Ca4 Mn4 Si8 O24\n1.0\n5.237320 -0.087138 1.152761\n-3.966778 6.833437 6.222309\n-1.499016 -6.616163 6.310337\nCa Mn Si O\n4 4 8 24\ndirect\n0.250000 0.500000 0.200933 Ca\n0.750000 0.000000 0.700933 Ca\n0.750000 0.500000 0.799067 Ca\n0.250000 0.000000 0.299067 Ca\n0.750000 0.000000 0.095650 Mn\n0.750000 0.500000 0.404350 Mn\n0.250000 0.500000 0.595650 Mn\n0.250000 0.000000 0.904350 Mn\n0.547223 0.287566 0.091344 Si\n0.047223 0.787566 0.591344 Si\n0.047223 0.287566 0.908656 Si\n0.547223 0.787566 0.408656 Si\n0.452777 0.712434 0.908656 Si\n0.952777 0.212434 0.408656 Si\n0.952777 0.712434 0.091344 Si\n0.452777 0.212434 0.591344 Si\n0.534361 0.879626 0.907192 O\n0.034361 0.379626 0.407192 O\n0.034361 0.879626 0.092808 O\n0.534361 0.379626 0.592808 O\n0.965639 0.120374 0.907192 O\n0.465639 0.620374 0.407192 O\n0.465639 0.120374 0.092808 O\n0.965639 0.620374 0.592808 O\n0.965194 0.635514 0.241873 O\n0.465194 0.135514 0.741873 O\n0.534806 0.364486 0.241873 O\n0.034806 0.864486 0.741873 O\n0.034806 0.364486 0.758127 O\n0.534806 0.864486 0.258127 O\n0.465194 0.635514 0.758127 O\n0.965194 0.135514 0.258127 O\n0.843051 0.347639 0.016687 O\n0.343051 0.847639 0.516687 O\n0.343051 0.347639 0.983313 O\n0.843051 0.847639 0.483313 O\n0.656949 0.652361 0.016687 O\n0.156949 0.152361 0.516687 O\n0.156949 0.652361 0.983313 O\n0.656949 0.152361 0.483313 O\n",
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{
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{
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"structure_string": "Rb6 B6 S12\n1.0\n5.576662 -8.053154 0.000000\n5.576662 8.053154 0.000000\n-6.052747 0.000000 7.701733\nRb B S\n6 6 12\ndirect\n0.250000 0.699128 0.800872 Rb\n0.800872 0.250000 0.699128 Rb\n0.699128 0.800872 0.250000 Rb\n0.750000 0.300872 0.199128 Rb\n0.199128 0.750000 0.300872 Rb\n0.300872 0.199128 0.750000 Rb\n0.250000 0.362061 0.137939 B\n0.137939 0.250000 0.362061 B\n0.362061 0.137939 0.250000 B\n0.750000 0.637939 0.862061 B\n0.862061 0.750000 0.637939 B\n0.637939 0.862061 0.750000 B\n0.866122 0.633878 0.750000 S\n0.633878 0.750000 0.866122 S\n0.750000 0.866122 0.633878 S\n0.133878 0.366122 0.250000 S\n0.366122 0.250000 0.133878 S\n0.250000 0.133878 0.366122 S\n0.527582 0.972418 0.750000 S\n0.972418 0.750000 0.527582 S\n0.750000 0.527582 0.972418 S\n0.472418 0.027582 0.250000 S\n0.027582 0.250000 0.472418 S\n0.250000 0.472418 0.027582 S\n",
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{
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"structure_string": "Hf3 Tl10 Mo12 Pb1 O48\n1.0\n13.547379 -5.466293 0.000000\n13.547379 5.466293 0.000000\n11.341760 0.000000 9.207406\nHf Tl Mo Pb O\n3 10 12 1 48\ndirect\n0.000000 0.000000 0.000000 Hf\n0.250813 0.250813 0.250813 Hf\n0.749187 0.749187 0.749187 Hf\n0.146756 0.146756 0.146756 Tl\n0.373582 0.373582 0.373582 Tl\n0.360517 0.143762 0.757905 Tl\n0.757905 0.360517 0.143762 Tl\n0.143762 0.757905 0.360517 Tl\n0.856238 0.242095 0.639483 Tl\n0.242095 0.639483 0.856238 Tl\n0.639483 0.856238 0.242095 Tl\n0.626418 0.626418 0.626418 Tl\n0.853244 0.853244 0.853244 Tl\n0.249971 0.041342 0.614175 Mo\n0.614175 0.249971 0.041342 Mo\n0.041342 0.614175 0.249971 Mo\n0.767410 0.108372 0.517265 Mo\n0.108372 0.517265 0.767410 Mo\n0.517265 0.767410 0.108372 Mo\n0.482735 0.232590 0.891628 Mo\n0.891628 0.482735 0.232590 Mo\n0.232590 0.891628 0.482735 Mo\n0.958658 0.385825 0.750029 Mo\n0.385825 0.750029 0.958658 Mo\n0.750029 0.958658 0.385825 Mo\n0.500000 0.500000 0.500000 Pb\n0.290748 0.043911 0.326811 O\n0.326811 0.290748 0.043911 O\n0.043911 0.326811 0.290748 O\n0.096196 0.016457 0.795783 O\n0.192776 0.187030 0.462994 O\n0.462994 0.192776 0.187030 O\n0.795783 0.096196 0.016457 O\n0.187030 0.462994 0.192776 O\n0.340322 0.086854 0.604482 O\n0.604482 0.340322 0.086854 O\n0.629228 0.122677 0.404954 O\n0.016457 0.795783 0.096196 O\n0.086854 0.604482 0.340322 O\n0.122677 0.404954 0.629228 O\n0.900332 0.083511 0.352934 O\n0.404954 0.629228 0.122677 O\n0.083511 0.352934 0.900332 O\n0.613041 0.275448 0.485410 O\n0.435853 0.163011 0.875513 O\n0.275448 0.485410 0.613041 O\n0.836989 0.124487 0.564147 O\n0.485410 0.613041 0.275448 O\n0.875513 0.435853 0.163011 O\n0.352934 0.900332 0.083511 O\n0.647066 0.099668 0.916489 O\n0.124487 0.564147 0.836989 O\n0.514590 0.386959 0.724552 O\n0.163011 0.875513 0.435853 O\n0.724552 0.514590 0.386959 O\n0.564147 0.836989 0.124487 O\n0.386959 0.724552 0.514590 O\n0.916489 0.647066 0.099668 O\n0.595046 0.370772 0.877323 O\n0.099668 0.916489 0.647066 O\n0.877323 0.595046 0.370772 O\n0.913146 0.395518 0.659678 O\n0.983543 0.204217 0.903804 O\n0.370772 0.877323 0.595046 O\n0.395518 0.659678 0.913146 O\n0.659678 0.913146 0.395518 O\n0.812970 0.537006 0.807224 O\n0.204217 0.903804 0.983543 O\n0.537006 0.807224 0.812970 O\n0.807224 0.812970 0.537006 O\n0.903804 0.983543 0.204217 O\n0.956089 0.673189 0.709252 O\n0.673189 0.709252 0.956089 O\n0.709252 0.956089 0.673189 O\n",
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{
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