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            "structure_string": "Cd6 I12\n1.0\n4.285839 -0.000000 -0.000000\n-2.142920 3.711646 0.000000\n0.000000 0.000000 41.278211\nCd I\n6 12\ndirect\n0.666667 0.333333 0.708366 Cd\n0.333333 0.666668 0.875023 Cd\n0.333333 0.666668 0.541657 Cd\n0.333333 0.666668 0.041637 Cd\n0.333333 0.666668 0.374997 Cd\n-0.000000 -0.000000 0.208321 Cd\n0.666667 0.333333 0.083667 I\n0.333333 0.666668 0.166322 I\n-0.000000 -0.000000 0.666336 I\n0.666667 0.333333 0.250349 I\n0.666667 0.333333 0.917024 I\n-0.000000 -0.000000 0.332988 I\n0.666667 0.333333 0.417010 I\n0.333333 0.666668 0.750365 I\n0.666667 0.333333 0.583668 I\n-0.000000 -0.000000 0.832994 I\n0.000000 0.000000 -0.000365 I\n-0.000000 -0.000000 0.499644 I\n",
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            "structure_string": "Cd6 I12\n1.0\n4.285846 0.000000 0.000000\n-2.142923 3.711651 0.000000\n-0.000000 0.000000 41.240332\nCd I\n6 12\ndirect\n-0.000000 -0.000000 0.542035 Cd\n0.666668 0.333333 0.041829 Cd\n-0.000000 -0.000000 0.708629 Cd\n0.666668 0.333333 0.375319 Cd\n-0.000000 -0.000000 0.208582 Cd\n-0.000000 -0.000000 0.875196 Cd\n0.333334 0.666667 0.584086 I\n0.666668 0.333333 0.500003 I\n0.666668 0.333333 0.833174 I\n-0.000000 -0.000000 0.999807 I\n-0.000000 -0.000000 0.333293 I\n0.666668 0.333333 0.666601 I\n0.333334 0.666667 0.750680 I\n0.333334 0.666667 0.250651 I\n0.333334 0.666667 0.417390 I\n0.333334 0.666667 0.083905 I\n0.333334 0.666667 0.917263 I\n0.666668 0.333333 0.166555 I\n",
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