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{
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{
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"structure_string": "Na6 Ir2 S4 N4 Cl8 O20\n1.0\n9.676996 0.000000 0.000000\n0.000000 7.327371 0.000000\n0.000000 3.974329 12.359282\nNa Ir S N Cl O\n6 2 4 4 8 20\ndirect\n0.202087 0.045829 0.237916 Na\n0.702087 0.954171 0.262084 Na\n0.797913 0.954171 0.762084 Na\n0.297913 0.045829 0.737916 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.234265 0.831767 0.520971 S\n0.734265 0.168233 0.979029 S\n0.765735 0.168233 0.479029 S\n0.265735 0.831767 0.020971 S\n0.042279 0.519767 0.876248 N\n0.542279 0.480233 0.623752 N\n0.957721 0.480233 0.123752 N\n0.457721 0.519767 0.376248 N\n0.897325 0.732329 0.620300 Cl\n0.397325 0.267671 0.879700 Cl\n0.102675 0.267671 0.379700 Cl\n0.602675 0.732329 0.120300 Cl\n0.034770 0.130249 0.644017 Cl\n0.534770 0.869751 0.855983 Cl\n0.965230 0.869751 0.355983 Cl\n0.465230 0.130249 0.144017 Cl\n0.298911 0.908765 0.414190 O\n0.798911 0.091235 0.085810 O\n0.701089 0.091235 0.585810 O\n0.201089 0.908765 0.914190 O\n0.301738 0.886741 0.608162 O\n0.801738 0.113259 0.891838 O\n0.698262 0.113259 0.391838 O\n0.198262 0.886741 0.108162 O\n0.199211 0.626681 0.549772 O\n0.699211 0.373319 0.950228 O\n0.800789 0.373319 0.450228 O\n0.300789 0.626681 0.049772 O\n0.450365 0.370436 0.617973 O\n0.950365 0.629564 0.882027 O\n0.549635 0.629564 0.382027 O\n0.049635 0.370436 0.117973 O\n0.552426 0.652890 0.591132 O\n0.052426 0.347110 0.908868 O\n0.447574 0.347110 0.408868 O\n0.947574 0.652890 0.091132 O\n",
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{
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"structure_string": "Na4 In4 B4 P8 H4 O36\n1.0\n17.067686 0.000000 0.000000\n0.000000 5.257783 0.000000\n0.000000 4.795447 7.897595\nNa In B P H O\n4 4 4 8 4 36\ndirect\n0.661169 0.983217 0.661275 Na\n0.838831 0.983217 0.161275 Na\n0.338831 0.016783 0.338725 Na\n0.161169 0.016783 0.838725 Na\n0.655795 0.484312 0.193914 In\n0.844205 0.484312 0.693914 In\n0.344205 0.515688 0.806086 In\n0.155795 0.515688 0.306086 In\n0.528600 0.341249 0.748921 B\n0.971400 0.341249 0.248921 B\n0.471400 0.658751 0.251079 B\n0.028600 0.658751 0.751079 B\n0.669966 0.231733 0.918339 P\n0.830034 0.231733 0.418339 P\n0.330034 0.768267 0.081661 P\n0.169966 0.768267 0.581661 P\n0.587621 0.744384 0.427023 P\n0.912379 0.744384 0.927023 P\n0.412379 0.255616 0.572977 P\n0.087621 0.255616 0.072977 P\n0.496672 0.546099 0.078699 H\n0.003328 0.546099 0.578699 H\n0.503328 0.453901 0.921301 H\n0.996672 0.453901 0.421301 H\n0.651318 0.474105 0.962341 O\n0.848682 0.474105 0.462341 O\n0.348682 0.525895 0.037659 O\n0.151318 0.525895 0.537659 O\n0.592106 0.147368 0.858844 O\n0.907894 0.147368 0.358844 O\n0.407894 0.852632 0.141156 O\n0.092106 0.852632 0.641156 O\n0.526861 0.590105 0.151785 O\n0.973139 0.590105 0.651785 O\n0.473139 0.409895 0.848215 O\n0.026861 0.409895 0.348215 O\n0.511900 0.828600 0.313153 O\n0.988100 0.828600 0.813153 O\n0.488100 0.171400 0.686847 O\n0.011900 0.171400 0.186847 O\n0.561209 0.630308 0.613684 O\n0.938791 0.630308 0.113684 O\n0.438791 0.369692 0.386316 O\n0.061209 0.369692 0.886316 O\n0.724867 0.355164 0.764951 O\n0.775133 0.355164 0.264951 O\n0.275133 0.644836 0.235049 O\n0.224867 0.644836 0.735049 O\n0.699613 0.940939 0.073461 O\n0.800387 0.940939 0.573461 O\n0.300387 0.059061 0.926539 O\n0.199613 0.059061 0.426539 O\n0.633333 0.500216 0.420614 O\n0.866667 0.500216 0.920614 O\n0.366667 0.499784 0.579386 O\n0.133333 0.499784 0.079386 O\n0.633393 0.025337 0.375793 O\n0.866607 0.025337 0.875793 O\n0.366607 0.974663 0.624207 O\n0.133393 0.974663 0.124207 O\n",
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{
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"structure_string": "Na4 In4 B4 P8 H4 O36\n1.0\n5.261578 0.000000 0.000000\n0.000000 17.003478 0.000000\n-4.636324 0.000000 7.881057\nNa In B P H O\n4 4 4 8 4 36\ndirect\n0.480973 0.160319 0.339785 Na\n0.519027 0.660319 0.160215 Na\n0.519027 0.839681 0.660215 Na\n0.480973 0.339681 0.839785 Na\n0.966118 0.340338 0.294267 In\n0.033882 0.840338 0.205733 In\n0.033882 0.659662 0.705733 In\n0.966118 0.159662 0.794267 In\n0.145077 0.525093 0.253106 B\n0.854923 0.025093 0.246894 B\n0.854923 0.474907 0.746894 B\n0.145077 0.974907 0.753106 B\n0.281192 0.667605 0.425179 P\n0.718808 0.167605 0.074821 P\n0.718808 0.332395 0.574821 P\n0.281192 0.832395 0.925179 P\n0.764878 0.912116 0.434885 P\n0.235122 0.412116 0.065115 P\n0.235122 0.087884 0.565115 P\n0.764878 0.587884 0.934885 P\n0.209368 0.475539 0.471571 H\n0.790632 0.975539 0.028429 H\n0.790632 0.524461 0.528429 H\n0.209368 0.024461 0.971571 H\n0.040168 0.657033 0.472771 O\n0.959832 0.157033 0.027229 O\n0.959832 0.342967 0.527229 O\n0.040168 0.842967 0.972771 O\n0.011097 0.865033 0.432548 O\n0.988903 0.365033 0.067452 O\n0.988903 0.134967 0.567452 O\n0.011097 0.634967 0.932548 O\n0.165130 0.719704 0.265837 O\n0.834870 0.219704 0.234163 O\n0.834870 0.280296 0.734163 O\n0.165130 0.780296 0.765837 O\n0.133814 0.059632 0.379157 O\n0.866186 0.559632 0.120843 O\n0.866186 0.940368 0.620843 O\n0.133814 0.440368 0.879157 O\n0.067590 0.470039 0.350519 O\n0.932410 0.970039 0.149481 O\n0.932410 0.529961 0.649481 O\n0.067590 0.029961 0.850519 O\n0.689096 0.986904 0.318850 O\n0.310904 0.486904 0.181150 O\n0.310904 0.013096 0.681150 O\n0.689096 0.513096 0.818850 O\n0.353683 0.585066 0.371589 O\n0.646317 0.085066 0.128411 O\n0.646317 0.414934 0.628411 O\n0.353683 0.914934 0.871589 O\n0.425786 0.302107 0.425311 O\n0.574214 0.802107 0.074689 O\n0.574214 0.697893 0.574689 O\n0.425786 0.197893 0.925311 O\n0.487932 0.865280 0.385667 O\n0.512068 0.365280 0.114333 O\n0.512068 0.134720 0.614333 O\n0.487932 0.634720 0.885667 O\n",
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{
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"elements": [
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"formula_full": "Na4 H12 C16 S16 O48 F48",
"formula_reduced": "NaH3C4S4(OF)12",
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"updated_at": "2021-11-28T01:36:26.923000Z",
"spacegroup": 199
},
{
"id": "mp-1179994",
"created_at": "2022-09-04T14:42:00.065789Z",
"structure_string": "Na6 H36 C6 S6 N6 O18\n1.0\n6.152106 -8.792638 0.000000\n6.152106 8.792638 0.000000\n-6.414400 0.000000 8.603160\nNa H C S N O\n6 36 6 6 6 18\ndirect\n0.197847 0.541838 0.983212 Na\n0.983212 0.197847 0.541838 Na\n0.541838 0.983212 0.197847 Na\n0.802153 0.458162 0.016788 Na\n0.016788 0.802153 0.458162 Na\n0.458162 0.016788 0.802153 Na\n0.193083 0.861705 0.176471 H\n0.176471 0.193083 0.861704 H\n0.861704 0.176471 0.193083 H\n0.806917 0.138296 0.823529 H\n0.823529 0.806917 0.138296 H\n0.138296 0.823529 0.806917 H\n0.888645 0.652515 0.870947 H\n0.870947 0.888645 0.652515 H\n0.652515 0.870947 0.888645 H\n0.111355 0.347485 0.129053 H\n0.129053 0.111355 0.347485 H\n0.347485 0.129053 0.111355 H\n0.288370 0.564632 0.298195 H\n0.298195 0.288370 0.564632 H\n0.564632 0.298195 0.288370 H\n0.711630 0.435368 0.701805 H\n0.701805 0.711630 0.435368 H\n0.435368 0.701805 0.711630 H\n0.407741 0.739052 0.423015 H\n0.423015 0.407741 0.739052 H\n0.739052 0.423015 0.407741 H\n0.592259 0.260948 0.576985 H\n0.576985 0.592259 0.260948 H\n0.260948 0.576985 0.592259 H\n0.994092 0.491534 0.684541 H\n0.684541 0.994092 0.491534 H\n0.491534 0.684541 0.994092 H\n0.005908 0.508466 0.315459 H\n0.315459 0.005908 0.508466 H\n0.508466 0.315459 0.005908 H\n0.898970 0.375629 0.717219 H\n0.717219 0.898970 0.375629 H\n0.375629 0.717219 0.898970 H\n0.101030 0.624371 0.282781 H\n0.282781 0.101030 0.624371 H\n0.624371 0.282781 0.101030 H\n0.280806 0.291967 0.146735 C\n0.146735 0.280806 0.291967 C\n0.291967 0.146735 0.280806 C\n0.719194 0.708033 0.853265 C\n0.853265 0.719194 0.708033 C\n0.708033 0.853265 0.719194 C\n0.299273 0.324371 0.007444 S\n0.007444 0.299273 0.324371 S\n0.324371 0.007444 0.299273 S\n0.700727 0.675629 0.992556 S\n0.992556 0.700727 0.675629 S\n0.675629 0.992556 0.700727 S\n0.186779 0.328145 0.197859 N\n0.197859 0.186779 0.328145 N\n0.328145 0.197859 0.186779 N\n0.813221 0.671855 0.802141 N\n0.802141 0.813221 0.671855 N\n0.671855 0.802141 0.813221 N\n0.008471 0.570672 0.000884 O\n0.000884 0.008471 0.570672 O\n0.570672 0.000884 0.008471 O\n0.991529 0.429328 0.999116 O\n0.999116 0.991529 0.429328 O\n0.429328 0.999116 0.991529 O\n0.313906 0.669807 0.319495 O\n0.319495 0.313906 0.669807 O\n0.669807 0.319495 0.313906 O\n0.686094 0.330193 0.680505 O\n0.680505 0.686094 0.330193 O\n0.330193 0.680505 0.686094 O\n0.985164 0.403061 0.697829 O\n0.697829 0.985164 0.403061 O\n0.403061 0.697829 0.985164 O\n0.014836 0.596939 0.302171 O\n0.302171 0.014836 0.596939 O\n0.596939 0.302171 0.014836 O\n",
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}
]
}