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"structure_string": "K1 Ca2 Be1\n1.0\n-2.488691 2.488691 5.382801\n2.488691 -2.488691 5.382801\n2.488691 2.488691 -5.382801\nK Ca Be\n1 2 1\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Ca\n0.750000 0.250000 0.500000 Be\n",
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