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{
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{
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"structure_string": "Th14 Ru6\n1.0\n4.980337 -8.626197 0.000000\n4.980337 8.626197 0.000000\n0.000000 0.000000 6.342282\nTh Ru\n14 6\ndirect\n0.459158 0.540842 0.299692 Th\n0.081684 0.540842 0.299692 Th\n0.918316 0.459158 0.799692 Th\n0.251737 0.125869 0.501916 Th\n0.540842 0.081684 0.799692 Th\n0.748263 0.874131 0.001916 Th\n0.666667 0.333333 0.292058 Th\n0.125869 0.874131 0.001916 Th\n0.459158 0.918316 0.299692 Th\n0.540842 0.459158 0.799692 Th\n0.874131 0.125869 0.501916 Th\n0.125869 0.251737 0.001916 Th\n0.874131 0.748263 0.501916 Th\n0.333333 0.666667 0.792058 Th\n0.813643 0.627287 0.048372 Ru\n0.813643 0.186357 0.048372 Ru\n0.627287 0.813643 0.548372 Ru\n0.372713 0.186357 0.048372 Ru\n0.186357 0.372713 0.548372 Ru\n0.186357 0.813643 0.548372 Ru\n",
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{
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"structure_string": "K4 Co4 P8 H20 O36\n1.0\n6.536241 0.000000 0.000000\n0.000000 7.846865 0.000000\n0.000000 0.000000 15.648769\nK Co P H O\n4 4 8 20 36\ndirect\n0.880931 0.747783 0.035018 K\n0.619069 0.747783 0.535018 K\n0.119069 0.247783 0.964982 K\n0.380931 0.247783 0.464982 K\n0.937948 0.750161 0.804730 Co\n0.562052 0.750161 0.304730 Co\n0.062052 0.250161 0.195270 Co\n0.437948 0.250161 0.695270 Co\n0.142090 0.936687 0.637642 P\n0.366645 0.557852 0.135841 P\n0.857910 0.436687 0.362358 P\n0.633355 0.057852 0.864159 P\n0.866645 0.057852 0.364159 P\n0.642090 0.436687 0.862358 P\n0.133355 0.557852 0.635841 P\n0.357910 0.936687 0.137642 P\n0.598517 0.855773 0.732912 H\n0.902503 0.645951 0.232100 H\n0.401483 0.355773 0.267088 H\n0.097497 0.145951 0.767900 H\n0.402503 0.145951 0.267900 H\n0.098517 0.355773 0.767088 H\n0.597497 0.645951 0.732100 H\n0.901483 0.855773 0.232912 H\n0.281820 0.851993 0.900947 H\n0.219996 0.650644 0.400330 H\n0.718180 0.351993 0.099053 H\n0.780004 0.150644 0.599670 H\n0.719996 0.150644 0.099670 H\n0.781820 0.351993 0.599053 H\n0.280004 0.650644 0.900330 H\n0.218180 0.851993 0.400947 H\n0.996131 0.993058 0.510284 H\n0.003869 0.493058 0.489716 H\n0.496131 0.493058 0.989716 H\n0.503869 0.993058 0.010284 H\n0.225555 0.748685 0.612771 O\n0.274445 0.748685 0.112771 O\n0.774445 0.248685 0.387229 O\n0.725555 0.248685 0.887229 O\n0.952523 0.968022 0.576009 O\n0.548594 0.528207 0.074236 O\n0.047477 0.468022 0.423991 O\n0.451406 0.028207 0.925764 O\n0.048594 0.028207 0.425764 O\n0.452523 0.468022 0.923991 O\n0.951406 0.528207 0.574236 O\n0.547477 0.968022 0.076009 O\n0.676326 0.750531 0.717949 O\n0.823674 0.750531 0.217949 O\n0.323674 0.250531 0.282051 O\n0.176326 0.250531 0.782051 O\n0.189857 0.751533 0.897074 O\n0.310143 0.751533 0.397074 O\n0.810143 0.251533 0.102926 O\n0.689857 0.251533 0.602926 O\n0.068376 0.939014 0.729205 O\n0.431719 0.560780 0.229178 O\n0.931624 0.439014 0.270795 O\n0.568281 0.060780 0.770822 O\n0.931719 0.060780 0.270822 O\n0.568376 0.439014 0.770795 O\n0.068281 0.560780 0.729178 O\n0.431624 0.939014 0.229205 O\n0.316407 0.056098 0.615690 O\n0.186226 0.441229 0.115728 O\n0.683593 0.556098 0.384310 O\n0.813774 0.941229 0.884272 O\n0.686226 0.941229 0.384272 O\n0.816407 0.556098 0.884310 O\n0.313774 0.441229 0.615728 O\n0.183593 0.056098 0.115690 O\n",
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{
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"structure_string": "Fe4 H48 C20 N4 Cl8 O20\n1.0\n8.838194 0.000000 0.000000\n0.000000 8.468905 0.000000\n0.000000 0.622486 18.248030\nFe H C N Cl O\n4 48 20 4 8 20\ndirect\n0.249268 0.927169 0.586016 Fe\n0.749268 0.072831 0.913984 Fe\n0.750732 0.072831 0.413984 Fe\n0.250732 0.927169 0.086016 Fe\n0.297796 0.588744 0.338334 H\n0.797796 0.411256 0.161666 H\n0.702204 0.411256 0.661666 H\n0.202204 0.588744 0.838334 H\n0.039715 0.597791 0.299769 H\n0.539715 0.402209 0.200231 H\n0.960285 0.402209 0.700231 H\n0.460285 0.597791 0.799769 H\n0.066611 0.684708 0.386824 H\n0.566611 0.315292 0.113176 H\n0.933389 0.315292 0.613176 H\n0.433389 0.684708 0.886824 H\n0.985758 0.490115 0.382270 H\n0.485758 0.509885 0.117730 H\n0.014242 0.509885 0.617730 H\n0.514242 0.490115 0.882270 H\n0.384816 0.426377 0.439293 H\n0.884816 0.573623 0.060707 H\n0.615184 0.573623 0.560707 H\n0.115184 0.426377 0.939293 H\n0.192270 0.388741 0.465808 H\n0.692270 0.611259 0.034192 H\n0.807730 0.611259 0.534192 H\n0.307730 0.388741 0.965808 H\n0.267757 0.586395 0.467916 H\n0.767757 0.413605 0.032084 H\n0.732243 0.413605 0.532084 H\n0.232243 0.586395 0.967916 H\n0.346352 0.310687 0.323827 H\n0.846352 0.689313 0.176173 H\n0.653648 0.689313 0.676173 H\n0.153648 0.310687 0.823827 H\n0.201763 0.385697 0.262348 H\n0.701763 0.614303 0.237652 H\n0.798237 0.614303 0.737652 H\n0.298237 0.385697 0.762348 H\n0.149644 0.271244 0.342591 H\n0.649644 0.728756 0.157409 H\n0.850356 0.728756 0.657409 H\n0.350356 0.271244 0.842591 H\n0.379690 0.799325 0.266276 H\n0.879690 0.200675 0.233724 H\n0.620310 0.200675 0.733724 H\n0.120310 0.799325 0.766276 H\n0.473722 0.786594 0.338310 H\n0.973722 0.213406 0.161690 H\n0.526278 0.213406 0.661690 H\n0.026278 0.786594 0.838310 H\n0.067038 0.574120 0.357580 C\n0.567038 0.425880 0.142420 C\n0.932962 0.425880 0.642420 C\n0.432962 0.574120 0.857580 C\n0.269692 0.474528 0.439635 C\n0.769692 0.525472 0.060365 C\n0.730308 0.525472 0.560365 C\n0.230308 0.474528 0.939635 C\n0.230914 0.357184 0.319536 C\n0.730914 0.642816 0.180464 C\n0.769086 0.642816 0.680464 C\n0.269086 0.357184 0.819536 C\n0.029625 0.084533 0.492730 C\n0.529625 0.915467 0.007270 C\n0.970375 0.915467 0.507270 C\n0.470375 0.084533 0.992730 C\n0.470988 0.945704 0.469991 C\n0.970988 0.054296 0.030009 C\n0.529012 0.054296 0.530009 C\n0.029012 0.945704 0.969991 C\n0.221587 0.504074 0.362092 N\n0.721587 0.495926 0.137908 N\n0.778413 0.495926 0.637908 N\n0.278413 0.504074 0.862092 N\n0.339486 0.692475 0.634308 Cl\n0.839486 0.307525 0.865692 Cl\n0.660514 0.307525 0.365692 Cl\n0.160514 0.692475 0.134308 Cl\n0.153378 0.026708 0.691050 Cl\n0.653378 0.973292 0.808950 Cl\n0.846622 0.973292 0.308950 Cl\n0.346622 0.026708 0.191050 Cl\n0.153856 0.119525 0.522246 O\n0.653856 0.880475 0.977754 O\n0.846144 0.880475 0.477754 O\n0.346144 0.119525 0.022246 O\n0.051445 0.824719 0.547687 O\n0.551445 0.175281 0.952313 O\n0.948555 0.175281 0.452313 O\n0.448555 0.824719 0.047687 O\n0.347846 0.874248 0.482189 O\n0.847846 0.125752 0.017811 O\n0.652154 0.125752 0.517811 O\n0.152154 0.874248 0.982189 O\n0.447547 0.063343 0.587187 O\n0.947547 0.936657 0.912813 O\n0.552453 0.936657 0.412813 O\n0.052453 0.063343 0.087187 O\n0.419264 0.722215 0.303037 O\n0.919264 0.277785 0.196963 O\n0.580736 0.277785 0.696963 O\n0.080736 0.722215 0.803037 O\n",
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{
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{
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{
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"structure_string": "Li4 Mn1 Te3 O12\n1.0\n5.200190 0.000000 0.000000\n0.014923 5.486060 0.000000\n0.035132 0.551173 7.620344\nLi Mn Te O\n4 1 3 12\ndirect\n0.992931 0.509499 0.223532 Li\n0.504379 0.986675 0.770865 Li\n0.006460 0.520091 0.772322 Li\n0.497644 0.981970 0.225034 Li\n0.001564 0.938044 0.964060 Mn\n0.002175 0.922950 0.462361 Te\n0.497642 0.424337 0.961766 Te\n0.499536 0.420650 0.464214 Te\n0.872728 0.900447 0.690881 O\n0.804443 0.226328 0.379561 O\n0.639245 0.404216 0.699030 O\n0.365446 0.396402 0.221368 O\n0.804743 0.596057 0.006250 O\n0.309704 0.715206 0.895149 O\n0.692455 0.716736 0.378689 O\n0.126428 0.891949 0.232638 O\n0.664733 0.113552 0.008516 O\n0.328154 0.096457 0.524367 O\n0.207572 0.242664 0.889424 O\n0.182018 0.590974 0.527575 O\n",
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