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"structure_string": "K3 Y1 Br6\n1.0\n7.100508 0.000000 4.099480\n2.366836 6.694423 4.099480\n0.000000 0.000000 8.198961\nK Y Br\n3 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Y\n0.761765 0.238235 0.238235 Br\n0.238236 0.238235 0.761765 Br\n0.238236 0.761764 0.761764 Br\n0.238236 0.761764 0.238235 Br\n0.761765 0.238235 0.761764 Br\n0.761765 0.761764 0.238235 Br\n",
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