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            "structure_string": "Ir2 Cl8 F12\n1.0\n0.000000 5.097296 0.133852\n10.825968 0.000000 0.000000\n0.000000 -0.431289 -7.324585\nIr Cl F\n2 8 12\ndirect\n-0.000000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.237187 0.861434 0.037747 Cl\n0.762814 0.361434 0.462254 Cl\n0.762814 0.138567 0.962254 Cl\n0.237187 0.638567 0.537747 Cl\n0.531890 0.847935 0.879617 Cl\n0.468111 0.347935 0.620384 Cl\n0.468111 0.152065 0.120384 Cl\n0.531890 0.652065 0.379617 Cl\n0.314726 0.584890 0.961685 F\n0.685275 0.084890 0.538316 F\n0.894861 0.637782 0.138644 F\n0.105140 0.137782 0.361357 F\n0.105140 0.362218 0.861357 F\n0.157829 0.074914 0.717432 F\n0.157829 0.425086 0.217432 F\n0.842172 0.925086 0.282568 F\n0.842172 0.574914 0.782569 F\n0.685275 0.415110 0.038316 F\n0.894860 0.862218 0.638644 F\n0.314726 0.915110 0.461685 F\n",
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}