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"formula_full": "Cs16 Te4 Se60",
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{
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"structure_string": "Sm1 Ag2 Hg1\n1.0\n0.000000 3.548445 3.548445\n3.548445 0.000000 3.548445\n3.548445 3.548445 0.000000\nSm Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n0.500000 0.500000 0.500000 Hg\n",
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{
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{
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