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{
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{
"id": "mp-1196396",
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"structure_string": "Tl16 Ge4 Se16\n1.0\n3.765171 6.025596 0.000000\n-3.765171 6.025596 0.000000\n0.000000 4.603092 24.998791\nTl Ge Se\n16 4 16\ndirect\n0.345360 0.274021 0.502921 Tl\n0.725979 0.654640 0.997079 Tl\n0.654640 0.725979 0.497079 Tl\n0.274021 0.345360 0.002921 Tl\n0.893831 0.327443 0.678352 Tl\n0.672557 0.106169 0.821648 Tl\n0.106169 0.672557 0.321648 Tl\n0.327443 0.893831 0.178352 Tl\n0.056661 0.324819 0.836760 Tl\n0.675181 0.943339 0.663240 Tl\n0.943339 0.675181 0.163240 Tl\n0.324819 0.056661 0.336760 Tl\n0.000000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.180048 0.819952 0.750000 Tl\n0.819952 0.180048 0.250000 Tl\n0.316816 0.558331 0.623946 Ge\n0.441669 0.683184 0.876054 Ge\n0.683184 0.441669 0.376054 Ge\n0.558331 0.316816 0.123946 Ge\n0.022641 0.585085 0.582919 Se\n0.414915 0.977359 0.917081 Se\n0.977359 0.414915 0.417081 Se\n0.585085 0.022641 0.082919 Se\n0.638645 0.332909 0.575577 Se\n0.667091 0.361355 0.924423 Se\n0.361355 0.667091 0.424423 Se\n0.332909 0.638645 0.075577 Se\n0.096518 0.699365 0.881006 Se\n0.300635 0.903482 0.618993 Se\n0.903482 0.300635 0.118993 Se\n0.699365 0.096518 0.381007 Se\n0.302370 0.385608 0.712030 Se\n0.614392 0.697630 0.787970 Se\n0.697630 0.614392 0.287970 Se\n0.385608 0.302370 0.212030 Se\n",
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{
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{
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"structure_string": "Mg2 C4 S4 N12 O28\n1.0\n7.345388 0.000000 0.000000\n0.000000 9.777942 0.000000\n0.000000 2.307114 11.893061\nMg C S N O\n2 4 4 12 28\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.447790 0.360968 0.766044 C\n0.552210 0.639032 0.233956 C\n0.947790 0.639032 0.733956 C\n0.052210 0.360968 0.266044 C\n0.431878 0.756198 0.878973 S\n0.568122 0.243802 0.121027 S\n0.931878 0.243802 0.621027 S\n0.068122 0.756198 0.378973 S\n0.298007 0.336171 0.831605 N\n0.701993 0.663829 0.168395 N\n0.798007 0.663829 0.668395 N\n0.201993 0.336171 0.331605 N\n0.110423 0.621422 0.686335 N\n0.889577 0.378578 0.313665 N\n0.610423 0.378578 0.813665 N\n0.389577 0.621422 0.186335 N\n0.435306 0.369823 0.652909 N\n0.564694 0.630177 0.347091 N\n0.935306 0.630177 0.847091 N\n0.064694 0.369823 0.152909 N\n0.370438 0.911245 0.845312 O\n0.629562 0.088755 0.154688 O\n0.870438 0.088755 0.654688 O\n0.129562 0.911245 0.345312 O\n0.287034 0.673449 0.951134 O\n0.712966 0.326551 0.048866 O\n0.787034 0.326551 0.548866 O\n0.212966 0.673449 0.451134 O\n0.086791 0.939040 0.852901 O\n0.913209 0.060960 0.147099 O\n0.586791 0.060960 0.647099 O\n0.413209 0.939040 0.352901 O\n0.437473 0.698547 0.774886 O\n0.562527 0.301453 0.225114 O\n0.937473 0.301453 0.725114 O\n0.062527 0.698547 0.274886 O\n0.106997 0.245088 0.565408 O\n0.893003 0.754912 0.434592 O\n0.606997 0.754912 0.934592 O\n0.393003 0.245088 0.065408 O\n0.724121 0.025145 0.005880 O\n0.275879 0.974855 0.994120 O\n0.224121 0.974855 0.494120 O\n0.775879 0.025145 0.505880 O\n0.399425 0.791266 0.513825 O\n0.600575 0.208734 0.486175 O\n0.899425 0.208734 0.986175 O\n0.100575 0.791266 0.013825 O\n",
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{
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