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"structure_string": "Ca2 Sn2 S6\n1.0\n0.000000 0.000000 -6.315966\n-3.331712 -5.770714 0.000000\n-3.331712 5.770714 -0.000000\nCa Sn S\n2 2 6\ndirect\n0.250000 0.666729 0.333271 Ca\n0.750000 0.333271 0.666729 Ca\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.000000 Sn\n0.250000 0.174295 0.825705 S\n0.250000 0.651414 0.825730 S\n0.250000 0.174269 0.348586 S\n0.750000 0.825705 0.174295 S\n0.750000 0.348586 0.174269 S\n0.750000 0.825730 0.651414 S\n",
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{
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{
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