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"structure_string": "Tl1 Cd1 S2\n1.0\n1.962817 -3.399698 -0.000000\n1.962817 3.399698 0.000000\n0.000000 -0.000000 6.968720\nTl Cd S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n0.666668 0.333334 0.220196 S\n0.333334 0.666668 0.779804 S\n",
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