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"structure_string": "Ba4 Ir1 Br1\n1.0\n-0.000000 4.799606 4.799606\n4.799606 0.000000 4.799606\n4.799606 4.799606 -0.000000\nBa Ir Br\n4 1 1\ndirect\n0.122779 0.625741 0.625741 Ba\n0.625741 0.625741 0.625741 Ba\n0.625741 0.122779 0.625741 Ba\n0.625741 0.625741 0.122779 Ba\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Br\n",
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