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"structure_string": "Th1 Ga2\n1.0\n2.128383 -3.686468 0.000000\n2.128383 3.686468 0.000000\n0.000000 0.000000 4.262176\nTh Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.333332 0.666666 0.500000 Ga\n0.666666 0.333332 0.500000 Ga\n",
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"structure_string": "Ti1 Fe1 Se1\n1.0\n3.438027 -0.000000 1.984946\n1.146009 3.241403 1.984946\n0.000000 0.000000 3.969892\nTi Fe Se\n1 1 1\ndirect\n0.500001 0.500000 0.500001 Ti\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Se\n",
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