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"structure_string": "Ca2 Ti4 S10\n1.0\n0.000000 6.106423 -0.000281\n4.127800 0.000000 0.000000\n0.000000 -0.000644 -14.650825\nCa Ti S\n2 4 10\ndirect\n0.101506 0.750000 0.750000 Ca\n0.898494 0.250000 0.250000 Ca\n0.576943 0.250000 0.902353 Ti\n0.423057 0.750000 0.097647 Ti\n0.423060 0.750000 0.402352 Ti\n0.576940 0.250000 0.597647 Ti\n0.562207 0.750000 0.250001 S\n0.437793 0.250000 0.749999 S\n0.387024 0.750000 0.927841 S\n0.612976 0.250000 0.072158 S\n0.387022 0.750000 0.572158 S\n0.612978 0.250000 0.427842 S\n0.924620 0.250000 0.629580 S\n0.075380 0.750000 0.370420 S\n0.075380 0.750000 0.129580 S\n0.924620 0.250000 0.870420 S\n",
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"structure_string": "Al1\n1.0\n2.490770 -0.000000 1.438047\n0.830257 2.348321 1.438047\n-0.000000 -0.000000 2.876094\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
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