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"structure_string": "Ba1 Cd2 Se1\n1.0\n4.277670 0.000000 0.000000\n0.000000 4.277670 0.000000\n0.000000 0.000000 7.105150\nBa Cd Se\n1 2 1\ndirect\n0.500000 0.500000 0.315513 Ba\n0.000000 0.000000 0.879575 Cd\n0.500000 0.500000 0.833130 Cd\n0.000000 0.000000 0.471782 Se\n",
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"structure_string": "Ba1 Cd2 Se1\n1.0\n4.277225 0.000000 0.000000\n0.000000 4.277225 0.000000\n0.000000 -0.000000 7.105124\nBa Cd Se\n1 2 1\ndirect\n0.499999 0.499999 0.684527 Ba\n0.000000 0.000000 0.120314 Cd\n0.499999 0.499999 0.166954 Cd\n0.000000 0.000000 0.528203 Se\n",
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