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"structure_string": "In1 Br4 O1\n1.0\n-4.259470 4.259470 2.004392\n4.259470 -4.259470 2.004392\n4.259470 4.259470 -2.004392\nIn Br O\n1 4 1\ndirect\n-0.017940 -0.017940 -0.000000 In\n0.105495 0.668990 0.809998 Br\n0.858991 0.295496 0.190003 Br\n0.668988 0.858991 0.563496 Br\n0.295497 0.105495 0.436505 Br\n0.482064 0.482064 -0.000000 O\n",
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"structure_string": "Ba1 I1\n1.0\n5.922878 -0.000000 0.000000\n-2.961439 5.129362 -0.000000\n-0.000000 0.000000 4.429938\nBa I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666666 0.000000 I\n",
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