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"structure_string": "Tl5 Br1 Cl4\n1.0\n13.925351 0.006386 0.000000\n-12.848950 5.368420 0.000000\n-0.000000 -0.000000 3.873117\nTl Br Cl\n5 1 4\ndirect\n0.799788 0.200213 -0.000000 Tl\n0.396405 0.603595 -0.000000 Tl\n0.000000 0.000000 0.000000 Tl\n0.603595 0.396406 -0.000000 Tl\n0.200213 0.799787 -0.000000 Tl\n0.500000 0.500000 0.500000 Br\n0.101475 0.898525 0.500000 Cl\n0.701349 0.298652 0.500000 Cl\n0.298652 0.701348 0.500000 Cl\n0.898526 0.101475 0.500000 Cl\n",
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