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"structure_string": "Ta2 Be1 Br1\n1.0\n3.001756 -0.000000 0.000000\n-0.000000 3.001756 -0.000000\n-0.000000 -0.000000 8.547402\nTa Be Br\n2 1 1\ndirect\n0.000000 0.000000 0.008689 Ta\n0.500001 0.500001 0.263995 Ta\n0.000000 0.000000 0.433514 Be\n0.500001 0.500001 0.793801 Br\n",
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"structure_string": "Ba1 Ca1 Se1\n1.0\n0.000000 3.991685 3.991685\n3.991685 0.000000 3.991685\n3.991685 3.991685 0.000000\nBa Ca Se\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.499999 Se\n",
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