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{
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{
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"formula_full": "Na3 Ca1 Sc3 Zn1 Si8 O24",
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{
"id": "mp-693393",
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"structure_string": "Na13 Ca7 S12 Cl2 O48 F1\n1.0\n-9.690741 0.000000 0.000000\n4.814302 8.411933 0.000000\n-0.001391 -0.006017 -13.909679\nNa Ca S Cl O F\n13 7 12 2 48 1\ndirect\n0.261952 0.257390 0.128750 Na\n0.272944 0.262454 0.620413 Na\n0.743649 0.008575 0.126683 Na\n0.734954 0.014266 0.622036 Na\n0.661113 0.322503 0.253876 Na\n0.657981 0.318030 0.502345 Na\n0.660046 0.325762 0.737245 Na\n0.006398 0.279635 0.380037 Na\n0.994883 0.738265 0.127366 Na\n0.337234 0.664243 0.743255 Na\n0.330065 0.661358 0.505104 Na\n0.332682 0.666876 0.998301 Na\n0.275722 0.999610 0.377818 Na\n0.664665 0.330789 0.004117 Ca\n0.004912 0.242928 0.874303 Ca\n0.994909 0.733154 0.624749 Ca\n0.326277 0.666374 0.249035 Ca\n0.239164 0.997719 0.876956 Ca\n0.717696 0.726841 0.377076 Ca\n0.755892 0.763766 0.875856 Ca\n0.644791 0.022310 0.370955 S\n0.634786 0.036252 0.877281 S\n0.386956 0.362533 0.371247 S\n0.403090 0.367305 0.877491 S\n0.030420 0.405269 0.122306 S\n0.028177 0.396423 0.627628 S\n0.970621 0.618249 0.372750 S\n0.964961 0.599211 0.876284 S\n0.595721 0.624945 0.124403 S\n0.607330 0.632410 0.625885 S\n0.373590 0.967164 0.122489 S\n0.363132 0.965461 0.627272 S\n0.000531 0.000732 0.077583 Cl\n0.997899 0.001938 0.637059 Cl\n0.326757 0.261393 0.457178 O\n0.365695 0.264126 0.965155 O\n0.338710 0.260334 0.285108 O\n0.349065 0.258700 0.793026 O\n0.488056 0.142370 0.120708 O\n0.465799 0.141067 0.626455 O\n0.548886 0.103573 0.375506 O\n0.528922 0.108406 0.874537 O\n0.748550 0.074457 0.285251 O\n0.742447 0.090057 0.792491 O\n0.747065 0.059474 0.456924 O\n0.738191 0.103003 0.964603 O\n0.580717 0.472058 0.875161 O\n0.567263 0.456128 0.375436 O\n0.854982 0.343807 0.120251 O\n0.852911 0.330334 0.626532 O\n0.656010 0.510007 0.121157 O\n0.687025 0.533583 0.626254 O\n0.885613 0.442179 0.375042 O\n0.889351 0.421787 0.874885 O\n0.082423 0.365979 0.030746 O\n0.075854 0.342372 0.206037 O\n0.080453 0.356203 0.719390 O\n0.081757 0.341859 0.544250 O\n0.928241 0.680507 0.460530 O\n0.914598 0.676847 0.290815 O\n0.898770 0.641833 0.961223 O\n0.913422 0.653626 0.789442 O\n0.117322 0.583951 0.131852 O\n0.111222 0.576223 0.623445 O\n0.329057 0.481192 0.367183 O\n0.321853 0.462611 0.880049 O\n0.146235 0.682225 0.368249 O\n0.140327 0.678219 0.879469 O\n0.418177 0.538363 0.134145 O\n0.431966 0.533286 0.620173 O\n0.283271 0.916886 0.030600 O\n0.249230 0.910911 0.545124 O\n0.264389 0.923108 0.205688 O\n0.265100 0.910707 0.718449 O\n0.463137 0.877943 0.132351 O\n0.459657 0.885384 0.622013 O\n0.532643 0.842326 0.366344 O\n0.541355 0.860097 0.880533 O\n0.661622 0.730874 0.209910 O\n0.648322 0.729510 0.715791 O\n0.638716 0.720896 0.035042 O\n0.664174 0.739620 0.540355 O\n0.999550 0.998855 0.862843 F\n",
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"formula_full": "Na13 Ca7 S12 Cl2 O48 F1",
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{
"id": "mp-695559",
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"structure_string": "Na13 Ca7 S12 Cl2 O48 F1\n1.0\n9.688395 0.000000 0.000000\n-4.802367 -8.428129 0.000000\n-0.059988 0.018500 -13.902874\nNa Ca S Cl O F\n13 7 12 2 48 1\ndirect\n0.232246 0.228363 0.388887 Na\n0.010993 0.741362 0.871052 Na\n0.001094 0.769254 0.383629 Na\n0.322572 0.669245 0.747342 Na\n0.331663 0.671405 0.984277 Na\n0.317649 0.659216 0.505029 Na\n0.280242 0.005138 0.625875 Na\n0.731418 0.993621 0.870741 Na\n0.674841 0.327983 0.746178 Na\n0.660746 0.333215 0.260810 Na\n0.674605 0.337371 0.993866 Na\n0.664156 0.329469 0.504780 Na\n0.994188 0.273242 0.630088 Na\n0.255153 0.260665 0.870111 Ca\n0.327449 0.662435 0.255891 Ca\n0.275091 0.010396 0.124463 Ca\n0.767323 0.002714 0.380372 Ca\n0.989758 0.264083 0.122913 Ca\n0.733899 0.722703 0.628729 Ca\n0.737908 0.722750 0.122796 Ca\n0.027058 0.644569 0.623561 S\n0.039809 0.644545 0.127792 S\n0.365175 0.391078 0.624510 S\n0.357945 0.395507 0.126015 S\n0.398477 0.033545 0.878763 S\n0.405858 0.024526 0.372632 S\n0.614742 0.967785 0.622586 S\n0.606080 0.962453 0.128533 S\n0.626193 0.600731 0.877542 S\n0.622899 0.600448 0.373812 S\n0.970900 0.366952 0.878843 S\n0.969636 0.373492 0.372367 S\n0.999688 0.999592 0.166792 Cl\n0.995572 0.996121 0.817142 Cl\n0.269886 0.347539 0.714931 O\n0.252992 0.331925 0.542623 O\n0.258955 0.365936 0.213512 O\n0.247273 0.330891 0.041859 O\n0.149444 0.460591 0.876139 O\n0.145548 0.481314 0.369511 O\n0.102757 0.542933 0.619796 O\n0.115406 0.541251 0.118013 O\n0.080800 0.743862 0.711607 O\n0.106521 0.737903 0.218092 O\n0.075677 0.752153 0.539013 O\n0.089348 0.757351 0.046048 O\n0.459764 0.570363 0.620685 O\n0.458289 0.572995 0.116367 O\n0.322797 0.858099 0.875992 O\n0.339175 0.848448 0.369997 O\n0.521857 0.672162 0.875801 O\n0.516243 0.672259 0.370464 O\n0.427799 0.884032 0.119067 O\n0.438574 0.885201 0.617622 O\n0.332800 0.083599 0.962891 O\n0.363394 0.098206 0.791010 O\n0.361857 0.077989 0.281771 O\n0.345059 0.071396 0.455512 O\n0.677995 0.918258 0.537638 O\n0.665421 0.910474 0.708224 O\n0.669724 0.910617 0.048206 O\n0.636543 0.899926 0.220293 O\n0.573179 0.108534 0.891913 O\n0.583970 0.105874 0.376593 O\n0.459846 0.321064 0.131231 O\n0.475703 0.326183 0.624268 O\n0.683070 0.142216 0.623527 O\n0.678931 0.137881 0.130451 O\n0.529394 0.423640 0.888696 O\n0.529522 0.425290 0.375659 O\n0.922421 0.255305 0.963716 O\n0.906751 0.272757 0.790293 O\n0.924444 0.265744 0.456584 O\n0.917867 0.266929 0.284194 O\n0.902624 0.472891 0.892273 O\n0.885239 0.465345 0.372835 O\n0.848090 0.541701 0.624037 O\n0.863627 0.544419 0.130793 O\n0.738826 0.661865 0.961302 O\n0.719120 0.634247 0.787719 O\n0.727860 0.662662 0.459676 O\n0.726512 0.652788 0.286051 O\n0.988069 0.999016 0.400787 F\n",
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{
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},
{
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},
{
"id": "mp-1195048",
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"structure_string": "Na2 Ca2 Mn6 Si10 H2 O30\n1.0\n0.003508 0.479991 -6.865250\n-7.779435 -0.257528 0.567074\n3.941448 11.463992 -0.361136\nNa Ca Mn Si H O\n2 2 6 10 2 30\ndirect\n0.362037 0.526877 0.860579 Na\n0.637963 0.473123 0.139421 Na\n0.281361 0.706450 0.474977 Ca\n0.718639 0.293550 0.525023 Ca\n0.133611 0.864147 0.056406 Mn\n0.866389 0.135853 0.943594 Mn\n0.063025 0.939628 0.348611 Mn\n0.936975 0.060372 0.651389 Mn\n0.170921 0.810194 0.766342 Mn\n0.829079 0.189806 0.233658 Mn\n0.356472 0.206900 0.945617 Si\n0.643528 0.793100 0.054383 Si\n0.422877 0.129617 0.673431 Si\n0.577123 0.870383 0.326569 Si\n0.214708 0.355564 0.551454 Si\n0.785292 0.644436 0.448546 Si\n0.299025 0.273818 0.278564 Si\n0.700975 0.726182 0.721436 Si\n0.119796 0.487952 0.146373 Si\n0.880204 0.512048 0.853627 Si\n0.477850 0.819538 0.891425 H\n0.522150 0.180462 0.108575 H\n0.555868 0.178716 0.998751 O\n0.444132 0.821284 0.001249 O\n0.178692 0.053068 0.936559 O\n0.821308 0.946932 0.063441 O\n0.418249 0.232917 0.817977 O\n0.581751 0.767083 0.182023 O\n0.249173 0.970391 0.647038 O\n0.750827 0.029609 0.352962 O\n0.358937 0.924251 0.383226 O\n0.641063 0.075749 0.616774 O\n0.378026 0.302064 0.626048 O\n0.621974 0.697936 0.373952 O\n0.167235 0.569700 0.611298 O\n0.832765 0.430300 0.388703 O\n0.032795 0.205923 0.529975 O\n0.967205 0.794077 0.470025 O\n0.335359 0.345610 0.421172 O\n0.664641 0.654390 0.578828 O\n0.134165 0.107660 0.236571 O\n0.865835 0.892340 0.763429 O\n0.486159 0.782791 0.792376 O\n0.513841 0.217209 0.207624 O\n0.235330 0.462721 0.257782 O\n0.764670 0.537279 0.742218 O\n0.076650 0.702333 0.176885 O\n0.923350 0.297667 0.823115 O\n0.069904 0.654930 0.880593 O\n0.930096 0.345070 0.119407 O\n0.282226 0.416094 0.029648 O\n0.717774 0.583906 0.970352 O\n",
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{
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]
}