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"structure_string": "Ti1 I3\n1.0\n4.830187 0.000000 -0.000000\n-2.415093 4.183065 0.000000\n-0.000000 -0.000000 8.203010\nTi I\n1 3\ndirect\n0.666667 0.333333 0.000000 Ti\n0.333333 0.666666 0.745231 I\n0.000000 0.000000 0.000000 I\n0.333333 0.666666 0.254769 I\n",
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