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"structure_string": "Tl1 Au3\n1.0\n4.305519 0.000000 0.000000\n0.000000 4.305519 0.000000\n-0.000000 0.000000 4.305519\nTl Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
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{
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{
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{
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