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"structure_string": "Ba1 Bi4 Br2 O6\n1.0\n3.996942 0.000000 -0.499199\n-0.062348 3.996456 -0.499199\n0.039198 0.039814 16.564627\nBa Bi Br O\n1 4 2 6\ndirect\n0.499999 0.500000 -0.000000 Ba\n0.085901 0.085901 0.171802 Bi\n0.914098 0.914099 0.828198 Bi\n0.787583 0.787584 0.575168 Bi\n0.212416 0.212416 0.424832 Bi\n0.335771 0.335771 0.671542 Br\n0.664228 0.664229 0.328458 Br\n0.943325 0.443325 0.886651 O\n0.056674 0.556675 0.113349 O\n0.556674 0.056674 0.113349 O\n0.443325 0.943326 0.886651 O\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n",
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"structure_string": "Ba1 Br1 Cl1\n1.0\n4.617157 -0.000000 2.665717\n1.539052 4.353097 2.665717\n-0.000000 -0.000000 5.331433\nBa Br Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Cl\n",
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