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"structure_string": "Ce2 Mg2\n1.0\n5.503682 -0.000000 0.000000\n-2.751841 4.766329 -0.000000\n0.000000 -0.000000 6.387228\nCe Mg\n2 2\ndirect\n0.333333 0.666667 0.937499 Ce\n0.666667 0.333333 0.437499 Ce\n0.333333 0.666667 0.437501 Mg\n0.666667 0.333333 0.937501 Mg\n",
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"structure_string": "Ba1 Br1 O1\n1.0\n4.628866 0.570681 0.000000\n-1.658944 5.261331 0.000000\n0.000000 0.000000 4.966639\nBa Br O\n1 1 1\ndirect\n0.316646 -0.097989 0.000000 Ba\n0.895602 0.335447 0.000000 Br\n0.787754 0.762541 0.000000 O\n",
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