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"structure_string": "Ba1 Ti1 Br1\n1.0\n-0.000000 4.063953 4.063953\n4.063953 -0.000000 4.063953\n4.063953 4.063953 0.000000\nBa Ti Br\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Br\n",
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"structure_string": "Ba1 Ti1 Cd1\n1.0\n-0.000000 3.755579 3.755579\n3.755579 -0.000000 3.755579\n3.755579 3.755579 -0.000000\nBa Ti Cd\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Cd\n",
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"structure_string": "Ba1 Ti1 Cd1\n1.0\n0.000000 3.756835 3.756835\n3.756835 0.000000 3.756835\n3.756835 3.756835 -0.000000\nBa Ti Cd\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Ti\n0.000000 0.000000 0.000000 Cd\n",
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