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{
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{
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{
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"structure_string": "Sc4 Br8 O28\n1.0\n0.000000 0.000000 6.481728\n9.076714 0.000000 0.000000\n0.000000 11.893322 0.000000\nSc Br O\n4 8 28\ndirect\n0.000000 0.402648 0.599360 Sc\n0.000000 0.597352 0.400640 Sc\n0.500000 0.902648 0.900640 Sc\n0.500000 0.097352 0.099360 Sc\n0.500000 0.366236 0.761987 Br\n0.500000 0.633764 0.238013 Br\n0.000000 0.866236 0.738013 Br\n0.000000 0.133764 0.261987 Br\n0.500000 0.741863 0.630861 Br\n0.500000 0.258137 0.369139 Br\n0.000000 0.241863 0.869139 Br\n0.000000 0.758137 0.130861 Br\n0.000000 0.383683 0.437462 O\n0.000000 0.616317 0.562538 O\n0.500000 0.883683 0.062538 O\n0.500000 0.116317 0.937462 O\n0.000000 0.208260 0.723341 O\n0.000000 0.791740 0.276659 O\n0.500000 0.708260 0.776659 O\n0.500000 0.291740 0.223341 O\n0.671868 0.182857 0.556140 O\n0.671868 0.817143 0.443860 O\n0.828132 0.682857 0.943860 O\n0.828132 0.317143 0.056140 O\n0.328132 0.817143 0.443860 O\n0.328132 0.182857 0.556140 O\n0.171868 0.317143 0.056140 O\n0.171868 0.682857 0.943860 O\n0.707820 0.430855 0.689205 O\n0.707820 0.569145 0.310795 O\n0.792180 0.930855 0.810795 O\n0.792180 0.069145 0.189205 O\n0.292180 0.569145 0.310795 O\n0.292180 0.430855 0.689205 O\n0.207820 0.069145 0.189205 O\n0.207820 0.930855 0.810795 O\n0.500000 0.144937 0.611136 O\n0.500000 0.855063 0.388864 O\n0.000000 0.644937 0.888864 O\n0.000000 0.355063 0.111136 O\n",
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{
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{
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"structure_string": "Ba7 Hg31\n1.0\n5.723554 -9.913486 0.000000\n5.723554 9.913486 0.000000\n0.000000 0.000000 10.169554\nBa Hg\n7 31\ndirect\n0.666667 0.333333 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.835378 0.670755 0.500000 Ba\n0.329245 0.164622 0.500000 Ba\n0.835378 0.164622 0.500000 Ba\n0.333333 0.666667 0.785398 Ba\n0.333333 0.666667 0.214602 Ba\n0.066381 0.666920 0.000000 Hg\n0.333080 0.399460 0.000000 Hg\n0.600540 0.933619 0.000000 Hg\n0.600540 0.666920 0.000000 Hg\n0.333080 0.933619 0.000000 Hg\n0.066381 0.399460 0.000000 Hg\n0.834120 0.668241 0.837754 Hg\n0.331759 0.165880 0.837754 Hg\n0.834120 0.165880 0.837754 Hg\n0.834120 0.668241 0.162246 Hg\n0.331759 0.165880 0.162246 Hg\n0.834120 0.165880 0.162246 Hg\n0.666667 0.333333 0.647849 Hg\n0.000000 0.000000 0.649440 Hg\n0.000000 0.000000 0.350560 Hg\n0.666667 0.333333 0.352151 Hg\n0.953823 0.476911 0.731893 Hg\n0.523089 0.476911 0.731893 Hg\n0.523089 0.046177 0.731893 Hg\n0.149665 0.850335 0.715546 Hg\n0.700670 0.850335 0.715546 Hg\n0.149665 0.299330 0.715546 Hg\n0.700670 0.850335 0.284454 Hg\n0.149665 0.850335 0.284454 Hg\n0.149665 0.299330 0.284454 Hg\n0.523089 0.476911 0.268107 Hg\n0.953823 0.476911 0.268107 Hg\n0.523089 0.046177 0.268107 Hg\n0.135977 0.567989 0.500000 Hg\n0.432011 0.567989 0.500000 Hg\n0.432011 0.864023 0.500000 Hg\n",
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{
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{
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