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{
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{
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"structure_string": "Ba8 Sc24 Ag8 S48\n1.0\n11.021602 0.000000 0.000000\n0.000000 11.232210 0.000000\n0.000000 0.000000 16.327387\nBa Sc Ag S\n8 24 8 48\ndirect\n0.734184 0.944260 0.796339 Ba\n0.765816 0.555740 0.296339 Ba\n0.765816 0.944260 0.296339 Ba\n0.234184 0.444260 0.703661 Ba\n0.734184 0.555740 0.796339 Ba\n0.265816 0.444260 0.203661 Ba\n0.265816 0.055740 0.203661 Ba\n0.234184 0.055740 0.703661 Ba\n0.921715 0.085616 0.586262 Sc\n0.860572 0.250000 0.024938 Sc\n0.578285 0.085616 0.086262 Sc\n0.078285 0.914384 0.413738 Sc\n0.141105 0.416715 0.965755 Sc\n0.078285 0.585616 0.413738 Sc\n0.358895 0.416715 0.465755 Sc\n0.578285 0.414384 0.086262 Sc\n0.639428 0.250000 0.524938 Sc\n0.641105 0.916715 0.534245 Sc\n0.858895 0.916715 0.034245 Sc\n0.360572 0.750000 0.475062 Sc\n0.930124 0.750000 0.593146 Sc\n0.421715 0.585616 0.913738 Sc\n0.139428 0.750000 0.975062 Sc\n0.069876 0.250000 0.406854 Sc\n0.858895 0.583285 0.034245 Sc\n0.430124 0.250000 0.906854 Sc\n0.921715 0.414384 0.586262 Sc\n0.569876 0.750000 0.093146 Sc\n0.141105 0.083285 0.965755 Sc\n0.641105 0.583285 0.534245 Sc\n0.358895 0.083285 0.465755 Sc\n0.421715 0.914384 0.913738 Sc\n0.956816 0.250000 0.211742 Ag\n0.049209 0.750000 0.176817 Ag\n0.950792 0.250000 0.823183 Ag\n0.450792 0.750000 0.676817 Ag\n0.043184 0.750000 0.788258 Ag\n0.456816 0.750000 0.288258 Ag\n0.549208 0.250000 0.323183 Ag\n0.543184 0.250000 0.711742 Ag\n0.364873 0.083747 0.014478 S\n0.590759 0.750000 0.427346 S\n0.135127 0.416253 0.514478 S\n0.296459 0.250000 0.362912 S\n0.409241 0.250000 0.572654 S\n0.203541 0.250000 0.862912 S\n0.020904 0.078091 0.310627 S\n0.085762 0.578654 0.075322 S\n0.363444 0.750000 0.019136 S\n0.801087 0.411814 0.131076 S\n0.914238 0.078654 0.924678 S\n0.635127 0.916253 0.985522 S\n0.636556 0.250000 0.980864 S\n0.414238 0.921346 0.575322 S\n0.510092 0.750000 0.821117 S\n0.085762 0.921346 0.075322 S\n0.979096 0.921909 0.689373 S\n0.864873 0.916253 0.485522 S\n0.989908 0.750000 0.321117 S\n0.198913 0.588186 0.868924 S\n0.479096 0.078091 0.810627 S\n0.479096 0.421909 0.810627 S\n0.301087 0.588186 0.368924 S\n0.863444 0.250000 0.480864 S\n0.489908 0.250000 0.178883 S\n0.135127 0.083747 0.514478 S\n0.635127 0.583747 0.985522 S\n0.801087 0.088186 0.131076 S\n0.585762 0.421346 0.424678 S\n0.864873 0.583747 0.485522 S\n0.136556 0.750000 0.519136 S\n0.698913 0.411814 0.631076 S\n0.010092 0.250000 0.678883 S\n0.909241 0.750000 0.927346 S\n0.520904 0.921909 0.189373 S\n0.585762 0.078654 0.424678 S\n0.364873 0.416253 0.014478 S\n0.090759 0.250000 0.072654 S\n0.796459 0.750000 0.137088 S\n0.301087 0.911814 0.368924 S\n0.198913 0.911814 0.868924 S\n0.520904 0.578091 0.189373 S\n0.979096 0.578091 0.689373 S\n0.914238 0.421346 0.924678 S\n0.414238 0.578654 0.575322 S\n0.703541 0.750000 0.637088 S\n0.020904 0.421909 0.310627 S\n0.698913 0.088186 0.631076 S\n",
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{
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{
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"structure_string": "Cd8 N16 O48\n1.0\n7.753993 0.000000 0.000000\n0.000000 7.761983 0.000000\n0.000000 0.000000 15.901289\nCd N O\n8 16 48\ndirect\n0.283342 0.981868 0.621649 Cd\n0.783342 0.018132 0.378351 Cd\n0.783342 0.518132 0.621649 Cd\n0.283342 0.481868 0.378351 Cd\n0.263206 0.476883 0.874853 Cd\n0.763206 0.523117 0.125147 Cd\n0.763206 0.023117 0.874853 Cd\n0.263206 0.976883 0.125147 Cd\n0.629230 0.341025 0.294013 N\n0.920408 0.673239 0.952894 N\n0.420408 0.326761 0.047106 N\n0.420408 0.826761 0.952894 N\n0.920408 0.173239 0.047106 N\n0.594598 0.362449 0.787129 N\n0.094598 0.637551 0.212871 N\n0.094598 0.137551 0.787129 N\n0.594598 0.862449 0.212871 N\n0.129230 0.658975 0.705987 N\n0.129230 0.158975 0.294013 N\n0.629230 0.841025 0.705987 N\n0.935581 0.668772 0.448028 N\n0.435581 0.331228 0.551972 N\n0.435581 0.831228 0.448028 N\n0.935581 0.168772 0.551972 N\n0.227628 0.654895 0.257917 O\n0.053717 0.674685 0.635647 O\n0.053717 0.174685 0.364353 O\n0.553717 0.825315 0.635647 O\n0.589329 0.463552 0.245284 O\n0.089329 0.536448 0.754716 O\n0.089329 0.036448 0.245284 O\n0.589329 0.963552 0.754716 O\n0.744080 0.733194 0.726847 O\n0.244080 0.266806 0.273153 O\n0.244080 0.766806 0.726847 O\n0.744080 0.233194 0.273153 O\n0.810783 0.191768 0.501696 O\n0.310783 0.808232 0.498304 O\n0.310783 0.308232 0.501696 O\n0.810783 0.691768 0.498304 O\n0.967580 0.279958 0.608082 O\n0.467580 0.720042 0.391918 O\n0.467580 0.220042 0.608082 O\n0.967580 0.779958 0.391918 O\n0.027400 0.034244 0.546060 O\n0.527400 0.965756 0.453940 O\n0.527400 0.465756 0.546060 O\n0.027400 0.534244 0.453940 O\n0.943427 0.781344 0.894185 O\n0.017034 0.042898 0.040698 O\n0.517034 0.957102 0.959302 O\n0.517034 0.457102 0.040698 O\n0.727628 0.845105 0.257917 O\n0.227628 0.154895 0.742083 O\n0.553717 0.325315 0.364353 O\n0.727628 0.345105 0.742083 O\n0.578910 0.775022 0.145693 O\n0.078910 0.224978 0.854307 O\n0.078910 0.724978 0.145693 O\n0.578910 0.275022 0.854307 O\n0.475903 0.966443 0.233448 O\n0.975903 0.033557 0.766552 O\n0.799242 0.696475 0.005343 O\n0.475903 0.466443 0.766552 O\n0.017034 0.542898 0.959302 O\n0.943427 0.281344 0.105815 O\n0.443427 0.718656 0.894185 O\n0.443427 0.218656 0.105815 O\n0.799242 0.196475 0.994657 O\n0.299242 0.803525 0.005343 O\n0.299242 0.303525 0.994657 O\n0.975903 0.533557 0.233448 O\n",
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{
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