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{
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{
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{
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{
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"structure_string": "Rb4 Ba4 Sc4 Si12 O36\n1.0\n10.331757 0.000000 0.000000\n0.000000 7.053238 0.000000\n0.000000 7.043628 12.039996\nRb Ba Sc Si O\n4 4 4 12 36\ndirect\n0.054239 0.665072 0.079244 Rb\n0.445761 0.665072 0.579244 Rb\n0.945761 0.334928 0.920756 Rb\n0.554239 0.334928 0.420756 Rb\n0.941435 0.328911 0.412420 Ba\n0.558565 0.328911 0.912420 Ba\n0.058565 0.671089 0.587580 Ba\n0.441435 0.671089 0.087580 Ba\n0.004043 0.021253 0.734970 Sc\n0.495957 0.021253 0.234970 Sc\n0.995957 0.978747 0.265030 Sc\n0.504043 0.978747 0.765030 Sc\n0.764214 0.868866 0.942090 Si\n0.735786 0.868866 0.442090 Si\n0.235786 0.131134 0.057910 Si\n0.264214 0.131134 0.557910 Si\n0.751683 0.384815 0.123198 Si\n0.748317 0.384815 0.623198 Si\n0.248317 0.615185 0.876802 Si\n0.251683 0.615185 0.376802 Si\n0.752930 0.750890 0.183292 Si\n0.747070 0.750890 0.683292 Si\n0.247070 0.249110 0.816708 Si\n0.252930 0.249110 0.316708 Si\n0.875156 0.002162 0.853193 O\n0.624844 0.002162 0.353193 O\n0.124844 0.997838 0.146807 O\n0.375156 0.997838 0.646807 O\n0.613615 0.939270 0.909472 O\n0.886385 0.939270 0.409472 O\n0.386385 0.060730 0.090528 O\n0.113615 0.060730 0.590528 O\n0.784140 0.598958 0.995855 O\n0.715860 0.598958 0.495855 O\n0.215860 0.401042 0.004145 O\n0.284140 0.401042 0.504145 O\n0.792523 0.909486 0.049692 O\n0.707477 0.909486 0.549692 O\n0.207477 0.090514 0.950308 O\n0.292523 0.090514 0.450308 O\n0.872557 0.222630 0.154305 O\n0.627443 0.222630 0.654305 O\n0.127443 0.777370 0.845695 O\n0.372557 0.777370 0.345695 O\n0.607678 0.304729 0.111695 O\n0.892322 0.304729 0.611695 O\n0.392322 0.695271 0.888305 O\n0.107678 0.695271 0.388305 O\n0.746620 0.492339 0.205966 O\n0.753380 0.492339 0.705966 O\n0.253380 0.507661 0.794034 O\n0.246620 0.507661 0.294034 O\n0.870398 0.741989 0.261672 O\n0.629602 0.741989 0.761672 O\n0.129602 0.258011 0.738328 O\n0.370398 0.258011 0.238328 O\n0.606991 0.801989 0.204687 O\n0.893009 0.801989 0.704687 O\n0.393009 0.198011 0.795313 O\n0.106991 0.198011 0.295313 O\n",
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{
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"structure_string": "Rb2 Ti1 Fe2 Mo6 O24\n1.0\n8.601725 0.000000 0.000000\n-1.388568 8.499906 0.000000\n-1.380299 -1.634100 8.362214\nRb Ti Fe Mo O\n2 1 2 6 24\ndirect\n0.814890 0.815458 0.812696 Rb\n0.185110 0.184542 0.187304 Rb\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.787031 0.320096 0.770924 Mo\n0.770513 0.787079 0.320766 Mo\n0.320397 0.770450 0.787664 Mo\n0.212969 0.679904 0.229076 Mo\n0.229487 0.212921 0.679234 Mo\n0.679603 0.229550 0.212336 Mo\n0.825882 0.444484 0.625992 O\n0.625597 0.826436 0.445809 O\n0.447622 0.623843 0.831667 O\n0.174118 0.555516 0.374008 O\n0.374403 0.173564 0.554191 O\n0.552378 0.376157 0.168333 O\n0.692525 0.119896 0.666463 O\n0.661689 0.686660 0.118645 O\n0.120256 0.665248 0.692012 O\n0.307475 0.880104 0.333537 O\n0.338311 0.313340 0.881355 O\n0.879744 0.334752 0.307988 O\n0.966792 0.307792 0.889096 O\n0.889826 0.966003 0.308018 O\n0.306610 0.891167 0.965308 O\n0.033208 0.692208 0.110904 O\n0.110174 0.033997 0.691982 O\n0.693390 0.108833 0.034692 O\n0.661650 0.422238 0.891446 O\n0.889415 0.666074 0.421277 O\n0.420951 0.888454 0.665771 O\n0.338350 0.577762 0.108554 O\n0.110585 0.333926 0.578723 O\n0.579049 0.111546 0.334229 O\n",
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{
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{
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{
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