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"structure_string": "Ca1 Tl1\n1.0\n3.850150 0.000000 0.000000\n0.000000 3.850150 0.000000\n-0.000000 -0.000000 3.850150\nCa Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Tl\n",
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