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"structure_string": "Th8 S12\n1.0\n3.937936 -0.000000 0.000000\n-0.000000 10.944467 0.000000\n0.000000 0.000000 10.902713\nTh S\n8 12\ndirect\n0.250000 0.315307 0.981979 Th\n0.250000 0.985685 0.803721 Th\n0.750001 0.485685 0.696279 Th\n0.250000 0.514315 0.303721 Th\n0.750001 0.815307 0.518020 Th\n0.250000 0.184693 0.481979 Th\n0.750001 0.014315 0.196279 Th\n0.750001 0.684693 0.018021 Th\n0.250000 0.555553 0.875844 S\n0.250000 0.295846 0.720039 S\n0.750001 0.377156 0.447286 S\n0.250000 0.204154 0.220039 S\n0.250000 0.622844 0.552713 S\n0.250000 0.877156 0.052714 S\n0.750001 0.795846 0.779961 S\n0.750001 0.122844 0.947286 S\n0.250000 0.944448 0.375844 S\n0.750001 0.055553 0.624155 S\n0.750001 0.704154 0.279961 S\n0.750001 0.444448 0.124155 S\n",
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{
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"structure_string": "Rb4 S6\n1.0\n6.417512 -0.028226 -0.000000\n-2.029109 6.088348 0.000000\n0.000000 -0.000000 7.634640\nRb S\n4 6\ndirect\n0.427554 0.572445 0.813296 Rb\n0.572445 0.427554 0.313296 Rb\n0.895658 0.104341 0.538719 Rb\n0.104341 0.895659 0.038719 Rb\n0.387090 0.064128 0.653383 S\n0.612910 0.935872 0.153383 S\n0.935871 0.612910 0.653383 S\n0.064128 0.387090 0.153383 S\n0.794289 0.205710 -0.001379 S\n0.205711 0.794289 0.498621 S\n",
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