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{
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"structure_string": "Cu10 Se8 Cl4 O24\n1.0\n8.449567 0.000000 0.000000\n0.000000 7.613989 0.000000\n0.000000 0.151966 11.045357\nCu Se Cl O\n10 8 4 24\ndirect\n0.631854 0.840202 0.631239 Cu\n0.131854 0.659798 0.368761 Cu\n0.368146 0.159798 0.368761 Cu\n0.868146 0.340202 0.631239 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.507063 0.921654 0.138802 Cu\n0.007063 0.578346 0.861198 Cu\n0.492937 0.078346 0.861198 Cu\n0.992937 0.421654 0.138802 Cu\n0.902619 0.996258 0.819523 Se\n0.402619 0.503742 0.180477 Se\n0.097381 0.003742 0.180477 Se\n0.597381 0.496258 0.819523 Se\n0.687748 0.829767 0.375404 Se\n0.187748 0.670233 0.624596 Se\n0.312252 0.170233 0.624596 Se\n0.812252 0.329767 0.375404 Se\n0.383670 0.844934 0.962727 Cl\n0.883670 0.655066 0.037273 Cl\n0.616330 0.155066 0.037273 Cl\n0.116330 0.344934 0.962727 Cl\n0.014354 0.811591 0.786828 O\n0.514354 0.688409 0.213172 O\n0.985646 0.188409 0.213172 O\n0.485646 0.311591 0.786828 O\n0.710707 0.937221 0.779340 O\n0.210707 0.562779 0.220660 O\n0.289293 0.062779 0.220660 O\n0.789293 0.437221 0.779340 O\n0.530245 0.622243 0.698395 O\n0.030245 0.877757 0.301605 O\n0.469755 0.377757 0.301605 O\n0.969755 0.122243 0.698395 O\n0.538391 0.755465 0.479013 O\n0.038391 0.744535 0.520987 O\n0.461609 0.244535 0.520987 O\n0.961609 0.255465 0.479013 O\n0.767138 0.953141 0.499350 O\n0.267138 0.546859 0.500650 O\n0.232862 0.046859 0.500650 O\n0.732862 0.453141 0.499350 O\n0.595865 0.998278 0.298229 O\n0.095865 0.501722 0.701771 O\n0.404135 0.001722 0.701771 O\n0.904135 0.498278 0.298229 O\n",
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{
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"structure_string": "Zn4 P2 H2 O10\n1.0\n5.611304 0.000000 0.000000\n0.266906 5.751391 0.000000\n1.406804 1.313404 6.298733\nZn P H O\n4 2 2 10\ndirect\n0.386970 0.250945 0.500090 Zn\n0.613030 0.749055 0.499910 Zn\n0.028133 0.740099 0.811695 Zn\n0.971867 0.259901 0.188305 Zn\n0.837035 0.250731 0.723288 P\n0.162965 0.749269 0.276712 P\n0.429140 0.920044 0.820475 H\n0.570860 0.079956 0.179525 H\n0.775658 0.994659 0.847229 O\n0.224342 0.005341 0.152771 O\n0.941798 0.389257 0.865421 O\n0.058202 0.610743 0.134579 O\n0.601188 0.379170 0.665372 O\n0.398812 0.620830 0.334628 O\n0.970536 0.751021 0.486719 O\n0.029464 0.248979 0.513281 O\n0.357791 0.896657 0.702178 O\n0.642209 0.103343 0.297822 O\n",
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"spacegroup": 2
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{
"id": "mp-1101968",
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"structure_string": "Ho4 Tc8\n1.0\n2.679361 -4.640789 0.000000\n2.679361 4.640789 0.000000\n0.000000 0.000000 8.879202\nHo Tc\n4 8\ndirect\n0.333333 0.666667 0.436427 Ho\n0.666667 0.333333 0.563573 Ho\n0.666667 0.333333 0.936427 Ho\n0.333333 0.666667 0.063573 Ho\n0.000000 0.000000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n0.828107 0.171893 0.250000 Tc\n0.828107 0.656214 0.250000 Tc\n0.343786 0.171893 0.250000 Tc\n0.171893 0.828107 0.750000 Tc\n0.171893 0.343786 0.750000 Tc\n0.656214 0.828107 0.750000 Tc\n",
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{
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"structure_string": "Na12 Mg4 C8 Cl4 O24\n1.0\n0.000000 7.091562 7.091562\n7.091562 0.000000 7.091562\n7.091562 7.091562 0.000000\nNa Mg C Cl O\n12 4 8 4 24\ndirect\n0.725369 0.725369 0.274631 Na\n0.274631 0.725369 0.725369 Na\n0.725369 0.274631 0.274631 Na\n0.725369 0.274631 0.725369 Na\n0.274631 0.274631 0.725369 Na\n0.975369 0.524631 0.975369 Na\n0.975369 0.524631 0.524631 Na\n0.524631 0.975369 0.975369 Na\n0.524631 0.975369 0.524631 Na\n0.975369 0.975369 0.524631 Na\n0.274631 0.725369 0.274631 Na\n0.524631 0.524631 0.975369 Na\n0.125000 0.625000 0.125000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.125000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n0.908358 0.908358 0.274926 C\n0.908358 0.908358 0.908358 C\n0.274926 0.908358 0.908358 C\n0.908358 0.274926 0.908358 C\n0.341642 0.341642 0.975074 C\n0.341642 0.341642 0.341642 C\n0.975074 0.341642 0.341642 C\n0.341642 0.975074 0.341642 C\n0.625000 0.125000 0.625000 Cl\n0.125000 0.625000 0.625000 Cl\n0.625000 0.625000 0.625000 Cl\n0.625000 0.625000 0.125000 Cl\n0.016096 0.942739 0.764323 O\n0.276842 0.764323 0.942739 O\n0.764323 0.942739 0.276842 O\n0.942739 0.016096 0.276842 O\n0.942739 0.764323 0.016096 O\n0.764323 0.016096 0.942739 O\n0.276842 0.942739 0.016096 O\n0.016096 0.764323 0.276842 O\n0.764323 0.276842 0.016096 O\n0.942739 0.276842 0.764323 O\n0.233904 0.485677 0.973158 O\n0.973158 0.307261 0.233904 O\n0.485677 0.233904 0.307261 O\n0.973158 0.233904 0.485677 O\n0.307261 0.485677 0.233904 O\n0.307261 0.233904 0.973158 O\n0.485677 0.307261 0.973158 O\n0.973158 0.485677 0.307261 O\n0.016096 0.276842 0.942739 O\n0.233904 0.307261 0.485677 O\n0.307261 0.973158 0.485677 O\n0.485677 0.973158 0.233904 O\n0.233904 0.973158 0.307261 O\n0.276842 0.016096 0.764323 O\n",
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{
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"structure_string": "Tb4 P4 O16\n1.0\n6.850904 0.000000 0.000000\n0.000000 6.337376 0.000000\n0.000000 4.712144 6.479332\nTb P O\n4 4 16\ndirect\n0.346800 0.811309 0.783739 Tb\n0.153200 0.811309 0.283739 Tb\n0.653200 0.188691 0.216261 Tb\n0.846800 0.188691 0.716261 Tb\n0.338719 0.310825 0.802162 P\n0.161281 0.310825 0.302162 P\n0.661281 0.689175 0.197838 P\n0.838719 0.689175 0.697838 P\n0.498688 0.183128 0.751451 O\n0.001312 0.183128 0.251451 O\n0.501312 0.816872 0.248549 O\n0.998688 0.816872 0.748549 O\n0.162723 0.117824 0.884315 O\n0.337277 0.117824 0.384315 O\n0.837277 0.882176 0.115685 O\n0.662723 0.882176 0.615685 O\n0.398526 0.344069 0.972252 O\n0.101474 0.344069 0.472252 O\n0.601474 0.655931 0.027748 O\n0.898526 0.655931 0.527748 O\n0.289746 0.593813 0.620242 O\n0.210254 0.593813 0.120242 O\n0.710254 0.406187 0.379758 O\n0.789746 0.406187 0.879758 O\n",
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{
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"structure_string": "K12 Hg4 N20 O44\n1.0\n9.662862 0.000000 0.000000\n0.000000 10.887622 0.000000\n0.000000 0.000000 12.593727\nK Hg N O\n12 4 20 44\ndirect\n0.400588 0.750000 0.015634 K\n0.900588 0.250000 0.484366 K\n0.599412 0.250000 0.984366 K\n0.099412 0.750000 0.515634 K\n0.065548 0.496107 0.202435 K\n0.565548 0.503893 0.297565 K\n0.934452 0.996107 0.797565 K\n0.434452 0.003893 0.702435 K\n0.565548 0.996107 0.297565 K\n0.434452 0.496107 0.702435 K\n0.065548 0.003893 0.202435 K\n0.934452 0.503893 0.797565 K\n0.812299 0.750000 0.087414 Hg\n0.312299 0.250000 0.412586 Hg\n0.187701 0.250000 0.912586 Hg\n0.687701 0.750000 0.587414 Hg\n0.693915 0.996879 0.035464 N\n0.236275 0.750000 0.747809 N\n0.736275 0.250000 0.752191 N\n0.763725 0.250000 0.252191 N\n0.263725 0.750000 0.247809 N\n0.417890 0.750000 0.467316 N\n0.917890 0.250000 0.032684 N\n0.582110 0.250000 0.532684 N\n0.082110 0.750000 0.967316 N\n0.655104 0.750000 0.829226 N\n0.155104 0.250000 0.670774 N\n0.344896 0.250000 0.170774 N\n0.844896 0.750000 0.329226 N\n0.193915 0.496879 0.464536 N\n0.693915 0.503121 0.035464 N\n0.806085 0.996879 0.535464 N\n0.306085 0.003121 0.964536 N\n0.193915 0.003121 0.464536 N\n0.306085 0.496879 0.964536 N\n0.806085 0.503121 0.535464 N\n0.375316 0.412322 0.919789 O\n0.070142 0.750000 0.067831 O\n0.570142 0.250000 0.432169 O\n0.929858 0.250000 0.932169 O\n0.429858 0.750000 0.567831 O\n0.319406 0.851147 0.221113 O\n0.819406 0.148853 0.278887 O\n0.680594 0.351147 0.778887 O\n0.180594 0.648853 0.721113 O\n0.680594 0.148853 0.778887 O\n0.180594 0.851147 0.721113 O\n0.319406 0.648853 0.221113 O\n0.819406 0.351147 0.278887 O\n0.150155 0.750000 0.298014 O\n0.650155 0.250000 0.201986 O\n0.849845 0.250000 0.701986 O\n0.817991 0.971503 0.014949 O\n0.317991 0.028497 0.485051 O\n0.182009 0.471503 0.985051 O\n0.682009 0.528497 0.514949 O\n0.182009 0.028497 0.985051 O\n0.682009 0.971503 0.514949 O\n0.817991 0.528497 0.014949 O\n0.317991 0.471503 0.485051 O\n0.624684 0.912322 0.080211 O\n0.124684 0.087678 0.419789 O\n0.349845 0.750000 0.798014 O\n0.875316 0.587678 0.580211 O\n0.375316 0.087678 0.919789 O\n0.875316 0.912322 0.580211 O\n0.624684 0.587678 0.080211 O\n0.124684 0.412322 0.419789 O\n0.835820 0.848435 0.276473 O\n0.335820 0.151565 0.223527 O\n0.164180 0.348435 0.723527 O\n0.664180 0.651565 0.776473 O\n0.164180 0.151565 0.723527 O\n0.664180 0.848435 0.776473 O\n0.835820 0.651565 0.276473 O\n0.335820 0.348435 0.223527 O\n0.529354 0.750000 0.415639 O\n0.470646 0.250000 0.584361 O\n0.029354 0.250000 0.084361 O\n0.970646 0.750000 0.915639 O\n",
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{
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"structure_string": "Ba4 P8 H16 O32\n1.0\n7.789385 0.000000 0.000000\n0.000000 8.628244 0.000000\n0.000000 0.000000 10.573453\nBa P H O\n4 8 16 32\ndirect\n0.750000 0.899866 0.250000 Ba\n0.250000 0.600134 0.750000 Ba\n0.250000 0.100134 0.750000 Ba\n0.750000 0.399866 0.250000 Ba\n0.074625 0.708444 0.422889 P\n0.425375 0.708444 0.077111 P\n0.574625 0.791556 0.577111 P\n0.925375 0.791556 0.922889 P\n0.925375 0.291556 0.577111 P\n0.574625 0.291556 0.922889 P\n0.425375 0.208444 0.422889 P\n0.074625 0.208444 0.077111 P\n0.918014 0.801949 0.578163 H\n0.581986 0.801949 0.921837 H\n0.418014 0.698051 0.421837 H\n0.081986 0.698051 0.078162 H\n0.081986 0.198051 0.421837 H\n0.418014 0.198051 0.078162 H\n0.581986 0.301949 0.578163 H\n0.918014 0.301949 0.921837 H\n0.183828 0.949172 0.381979 H\n0.316172 0.949172 0.118021 H\n0.683828 0.550828 0.618021 H\n0.816172 0.550828 0.881979 H\n0.816172 0.050828 0.618021 H\n0.683828 0.050828 0.881979 H\n0.316172 0.449172 0.381979 H\n0.183828 0.449172 0.118021 H\n0.239431 0.612907 0.429531 O\n0.260569 0.612907 0.070469 O\n0.739431 0.887093 0.570469 O\n0.760569 0.887093 0.929531 O\n0.760569 0.387093 0.570469 O\n0.739431 0.387093 0.929531 O\n0.260569 0.112907 0.429531 O\n0.239431 0.112907 0.070469 O\n0.037260 0.754278 0.567098 O\n0.462740 0.754278 0.932902 O\n0.537260 0.745722 0.432902 O\n0.962740 0.745722 0.067098 O\n0.962740 0.245722 0.432902 O\n0.537260 0.245722 0.067098 O\n0.462740 0.254278 0.567098 O\n0.037260 0.254278 0.932902 O\n0.917169 0.639206 0.360996 O\n0.582831 0.639206 0.139004 O\n0.417169 0.860794 0.639004 O\n0.082831 0.860794 0.860996 O\n0.082831 0.360794 0.639004 O\n0.417169 0.360794 0.860996 O\n0.582831 0.139206 0.360996 O\n0.917169 0.139206 0.139004 O\n0.102870 0.867248 0.347952 O\n0.397130 0.867248 0.152048 O\n0.602870 0.632752 0.652048 O\n0.897130 0.632752 0.847952 O\n0.897130 0.132752 0.652048 O\n0.602870 0.132752 0.847952 O\n0.397130 0.367248 0.347952 O\n0.102870 0.367248 0.152048 O\n",
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