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"structure_string": "Ba1 Ca2 Bi1\n1.0\n4.226853 0.000000 -0.000000\n0.000000 4.226853 -0.000000\n-0.000000 -0.000000 8.837476\nBa Ca Bi\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.680406 Ca\n0.000000 0.000000 0.319595 Ca\n0.500000 0.500000 0.500000 Bi\n",
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