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"structure_string": "Ti1 S1 O2\n1.0\n2.794919 0.000000 -0.000000\n0.000000 2.794919 0.000000\n-0.000000 0.000000 8.031959\nTi S O\n1 1 2\ndirect\n0.500000 0.500000 0.584841 Ti\n0.000000 0.000000 0.110627 S\n0.000000 0.000000 0.526563 O\n0.500000 0.500000 0.787968 O\n",
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