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"structure_string": "Na3 Sm3 F12\n1.0\n5.471677 0.002683 2.598697\n1.778279 5.976196 3.290136\n-0.007596 -0.005676 7.057427\nNa Sm F\n3 3 12\ndirect\n0.666186 0.483646 0.166816 Na\n0.663651 0.005214 0.679680 Na\n0.330128 0.427548 0.908194 Na\n0.002646 0.999773 0.997680 Sm\n0.997670 0.499192 0.503337 Sm\n0.335585 0.921258 0.409075 Sm\n0.975950 0.887500 0.383682 F\n0.981418 0.381999 0.882157 F\n0.276747 0.130427 0.624005 F\n0.257383 0.625779 0.128924 F\n0.046869 0.819012 0.771047 F\n0.594865 0.166065 0.197839 F\n0.591833 0.708018 0.659158 F\n0.754763 0.735398 0.231624 F\n0.365303 0.541779 0.501452 F\n0.367547 0.007082 0.031973 F\n0.037671 0.279161 0.315261 F\n0.753788 0.244141 0.745109 F\n",
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{
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{
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"structure_string": "Cu4 S2 O8\n1.0\n4.215285 -0.000000 1.433680\n2.107642 5.482424 0.716840\n-0.261601 0.000000 7.682853\nCu S O\n4 2 8\ndirect\n0.180163 0.250000 0.639675 Cu\n0.569838 0.250000 0.860324 Cu\n0.819838 0.749999 0.360325 Cu\n0.430163 0.749999 0.139675 Cu\n0.875001 0.250000 0.250000 S\n0.125000 0.749999 0.750000 S\n0.927503 0.405445 0.369484 O\n0.202432 0.094555 0.130516 O\n0.667053 0.405445 0.130515 O\n0.703014 0.094555 0.369484 O\n0.072498 0.594554 0.630515 O\n0.797569 0.905445 0.869484 O\n0.296987 0.905445 0.630515 O\n0.332948 0.594554 0.869484 O\n",
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