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"structure_string": "Ca2 Co4 S8\n1.0\n6.330181 0.000000 -3.323427\n-1.744841 6.084961 -3.323427\n-0.287387 -0.381376 7.142919\nCa Co S\n2 4 8\ndirect\n0.375000 0.624999 0.749999 Ca\n0.625000 0.375000 0.249999 Ca\n-0.000000 -0.000000 0.500000 Co\n0.000000 0.500000 -0.000000 Co\n0.500000 -0.000000 0.499999 Co\n0.000000 0.000000 0.000000 Co\n0.773380 0.819260 0.546761 S\n0.772499 0.226619 0.953237 S\n0.180739 0.226619 0.953238 S\n0.226619 0.180739 0.453238 S\n0.226619 0.772500 0.453238 S\n0.227500 0.773381 0.046761 S\n0.773380 0.227500 0.546761 S\n0.819261 0.773381 0.046761 S\n",
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