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"structure_string": "Zr3 S2\n1.0\n4.640474 0.013697 1.370566\n1.028078 4.525179 1.370566\n0.017106 0.013697 4.838610\nZr S\n3 2\ndirect\n0.160188 0.839813 0.500001 Zr\n0.500000 0.160189 0.839812 Zr\n0.839811 0.500001 0.160189 Zr\n0.335654 0.335654 0.335654 S\n0.664346 0.664347 0.664347 S\n",
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