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{
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{
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"structure_string": "Li12 Cr12 Cu8 O48\n1.0\n9.178733 0.000000 0.000000\n0.000000 8.842220 0.000000\n0.000000 8.276274 12.557155\nLi Cr Cu O\n12 12 8 48\ndirect\n0.912263 0.375865 0.697500 Li\n0.492830 0.715925 0.343621 Li\n0.226310 0.001530 0.178261 Li\n0.726310 0.998470 0.321739 Li\n0.412263 0.624135 0.802500 Li\n0.992830 0.284075 0.156379 Li\n0.007170 0.715925 0.843621 Li\n0.587737 0.375865 0.197500 Li\n0.273690 0.001530 0.678261 Li\n0.773690 0.998470 0.821739 Li\n0.507170 0.284075 0.656379 Li\n0.087737 0.624135 0.302500 Li\n0.750232 0.553310 0.492123 Cr\n0.623611 0.263122 0.852888 Cr\n0.887465 0.967652 0.147838 Cr\n0.123611 0.736878 0.647112 Cr\n0.387465 0.032348 0.352162 Cr\n0.250232 0.446690 0.007877 Cr\n0.749768 0.553310 0.992123 Cr\n0.612535 0.967652 0.647838 Cr\n0.876389 0.263122 0.352888 Cr\n0.112535 0.032348 0.852162 Cr\n0.376389 0.736878 0.147112 Cr\n0.249768 0.446690 0.507877 Cr\n0.973014 0.351511 0.895204 Cu\n0.473014 0.648489 0.604796 Cu\n0.035710 0.867823 0.386147 Cu\n0.535710 0.132177 0.113853 Cu\n0.464290 0.867823 0.886147 Cu\n0.964290 0.132177 0.613853 Cu\n0.526986 0.351511 0.395204 Cu\n0.026986 0.648489 0.104796 Cu\n0.121232 0.604415 0.444582 O\n0.114064 0.150585 0.906588 O\n0.334923 0.455541 0.603554 O\n0.419913 0.868723 0.194537 O\n0.629785 0.513541 0.588225 O\n0.807719 0.290496 0.835703 O\n0.583075 0.153253 0.980284 O\n0.014214 0.872646 0.248240 O\n0.723045 0.974704 0.195897 O\n0.821067 0.761624 0.435903 O\n0.532181 0.457473 0.785051 O\n0.032181 0.542527 0.714949 O\n0.944434 0.182125 0.063305 O\n0.444434 0.817875 0.436695 O\n0.321067 0.238376 0.064097 O\n0.223045 0.025296 0.304103 O\n0.083075 0.846747 0.519716 O\n0.514214 0.127354 0.251760 O\n0.307719 0.709504 0.664297 O\n0.129785 0.486459 0.911775 O\n0.834923 0.544459 0.896446 O\n0.614064 0.849415 0.593412 O\n0.919913 0.131277 0.305463 O\n0.621232 0.395585 0.055418 O\n0.378768 0.604415 0.944582 O\n0.080087 0.868723 0.694537 O\n0.385936 0.150585 0.406588 O\n0.165077 0.455541 0.103554 O\n0.870215 0.513541 0.088225 O\n0.692281 0.290496 0.335703 O\n0.485786 0.872646 0.748240 O\n0.916925 0.153253 0.480284 O\n0.776955 0.974704 0.695897 O\n0.678933 0.761624 0.935903 O\n0.555566 0.182125 0.563305 O\n0.055566 0.817875 0.936695 O\n0.967819 0.457473 0.285051 O\n0.467819 0.542527 0.214949 O\n0.178933 0.238376 0.564097 O\n0.276955 0.025296 0.804103 O\n0.985786 0.127354 0.751760 O\n0.416925 0.846747 0.019716 O\n0.192281 0.709504 0.164297 O\n0.370215 0.486459 0.411775 O\n0.580087 0.131277 0.805463 O\n0.665077 0.544459 0.396446 O\n0.885936 0.849415 0.093412 O\n0.878768 0.395585 0.555418 O\n",
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{
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"structure_string": "Sm4 H4 S4 O20\n1.0\n12.346643 0.000000 0.000000\n0.000000 4.493648 0.000000\n0.000000 2.549447 6.572629\nSm H S O\n4 4 4 20\ndirect\n0.563179 0.339602 0.802108 Sm\n0.063179 0.660398 0.697892 Sm\n0.436821 0.660398 0.197892 Sm\n0.936821 0.339602 0.302108 Sm\n0.342147 0.288107 0.984089 H\n0.157853 0.288107 0.484089 H\n0.657853 0.711893 0.015911 H\n0.842147 0.711893 0.515911 H\n0.853486 0.095541 0.886029 S\n0.353486 0.904459 0.613971 S\n0.146514 0.904459 0.113971 S\n0.646514 0.095541 0.386029 S\n0.585223 0.738423 0.954632 O\n0.085223 0.261577 0.545368 O\n0.414777 0.261577 0.045368 O\n0.914777 0.738423 0.454632 O\n0.901718 0.034807 0.710499 O\n0.401718 0.965193 0.789501 O\n0.098282 0.965193 0.289501 O\n0.598282 0.034807 0.210499 O\n0.752571 0.280981 0.821798 O\n0.252571 0.719019 0.678202 O\n0.247429 0.719019 0.178202 O\n0.747429 0.280981 0.321798 O\n0.933473 0.296128 0.952205 O\n0.433473 0.703872 0.547795 O\n0.066527 0.703872 0.047795 O\n0.566527 0.296128 0.452205 O\n0.831855 0.796990 0.056479 O\n0.331855 0.203010 0.443521 O\n0.168145 0.203010 0.943521 O\n0.668145 0.796990 0.556479 O\n",
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"formula_full": "Sm4 H4 S4 O20",
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{
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"created_at": "2022-09-04T14:42:59.653537Z",
"structure_string": "Cs4 Ag8 Bi4 S12\n1.0\n8.309512 0.000000 0.000000\n0.000000 7.060513 0.000000\n0.000000 2.273832 13.421300\nCs Ag Bi S\n4 8 4 12\ndirect\n0.614901 0.684878 0.179289 Cs\n0.114901 0.815122 0.820711 Cs\n0.385099 0.315122 0.820711 Cs\n0.885099 0.184878 0.179289 Cs\n0.251899 0.970282 0.087023 Ag\n0.751899 0.529718 0.912977 Ag\n0.748101 0.029718 0.912977 Ag\n0.248101 0.470282 0.087023 Ag\n0.140170 0.651008 0.268208 Ag\n0.640170 0.848992 0.731792 Ag\n0.859830 0.348992 0.731792 Ag\n0.359830 0.151008 0.268208 Ag\n0.368022 0.756809 0.501345 Bi\n0.868022 0.743191 0.498655 Bi\n0.631978 0.243191 0.498655 Bi\n0.131978 0.256809 0.501345 Bi\n0.053792 0.722475 0.089701 S\n0.553792 0.777525 0.910299 S\n0.946208 0.277525 0.910299 S\n0.446208 0.222475 0.089701 S\n0.144000 0.951344 0.377705 S\n0.644000 0.548656 0.622295 S\n0.856000 0.048656 0.622295 S\n0.356000 0.451344 0.377705 S\n0.628088 0.955790 0.382551 S\n0.128088 0.544210 0.617449 S\n0.371912 0.044210 0.617449 S\n0.871912 0.455790 0.382551 S\n",
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{
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"structure_string": "Nd10 As8 Cl6 O24\n1.0\n5.489442 0.000000 0.000000\n0.000000 10.419491 0.000000\n0.000000 9.447866 14.147762\nNd As Cl O\n10 8 6 24\ndirect\n0.764560 0.495672 0.585713 Nd\n0.744045 0.836600 0.968172 Nd\n0.235440 0.495672 0.085713 Nd\n0.708059 0.500000 0.250000 Nd\n0.744045 0.163400 0.531828 Nd\n0.255955 0.163400 0.031828 Nd\n0.235440 0.504328 0.414287 Nd\n0.291941 0.500000 0.750000 Nd\n0.764560 0.504328 0.914287 Nd\n0.255955 0.836600 0.468172 Nd\n0.261616 0.229177 0.361768 As\n0.738384 0.229177 0.861768 As\n0.763250 0.756692 0.350298 As\n0.738384 0.770823 0.638232 As\n0.236750 0.756692 0.850298 As\n0.236750 0.243308 0.649702 As\n0.763250 0.243308 0.149702 As\n0.261616 0.770823 0.138232 As\n0.753656 0.996736 0.080028 Cl\n0.753656 0.003264 0.419972 Cl\n0.747699 0.000000 0.750000 Cl\n0.252301 0.000000 0.250000 Cl\n0.246344 0.996736 0.580028 Cl\n0.246344 0.003264 0.919972 Cl\n0.488490 0.327733 0.563684 O\n0.000715 0.315878 0.054597 O\n0.999285 0.315878 0.554597 O\n0.511510 0.327733 0.063684 O\n0.652239 0.637573 0.757851 O\n0.172823 0.593304 0.844500 O\n0.005777 0.679991 0.120740 O\n0.994223 0.679991 0.620740 O\n0.999285 0.684122 0.945403 O\n0.827177 0.593304 0.344500 O\n0.347761 0.362427 0.242149 O\n0.994223 0.320009 0.879260 O\n0.005777 0.320009 0.379260 O\n0.000715 0.684122 0.445403 O\n0.513351 0.689178 0.596893 O\n0.488490 0.672267 0.936316 O\n0.486649 0.310822 0.403107 O\n0.652239 0.362427 0.742149 O\n0.511510 0.672267 0.436316 O\n0.172823 0.406696 0.655500 O\n0.347761 0.637573 0.257851 O\n0.827177 0.406696 0.155500 O\n0.513351 0.310822 0.903107 O\n0.486649 0.689178 0.096893 O\n",
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{
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"structure_string": "Er4 Th2 O2 F20\n1.0\n-4.090948 4.090948 6.137336\n4.090948 -4.090948 6.137336\n4.090948 4.090948 -6.137336\nEr Th O F\n4 2 2 20\ndirect\n0.240942 0.759058 0.000000 Er\n0.240942 0.240942 0.481884 Er\n0.759058 0.240942 0.000000 Er\n0.759058 0.759058 0.518116 Er\n0.759117 0.759117 0.000000 Th\n0.240883 0.240883 0.000000 Th\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.116909 0.895220 0.221689 F\n0.104780 0.326470 0.221689 F\n0.104780 0.883091 0.778311 F\n0.673530 0.895220 0.778311 F\n0.883091 0.104780 0.778311 F\n0.895220 0.673530 0.778311 F\n0.895220 0.116909 0.221689 F\n0.326470 0.104780 0.221689 F\n0.184201 0.500000 0.684201 F\n0.493757 0.493757 0.664905 F\n0.493757 0.828852 0.000000 F\n0.500000 0.184201 0.684201 F\n0.171148 0.171148 0.664905 F\n0.506243 0.171148 0.000000 F\n0.500000 0.815799 0.315799 F\n0.506243 0.506243 0.335095 F\n0.171148 0.506243 0.000000 F\n0.815799 0.500000 0.315799 F\n0.828852 0.828852 0.335095 F\n0.828852 0.493757 0.000000 F\n",
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{
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{
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{
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"structure_string": "Ba4 Cd4 P16 O48\n1.0\n9.411925 0.000000 0.000000\n0.000000 7.350861 0.000000\n0.000000 7.167689 15.187662\nBa Cd P O\n4 4 16 48\ndirect\n0.892250 0.647802 0.367117 Ba\n0.392250 0.352198 0.132883 Ba\n0.107750 0.352198 0.632883 Ba\n0.607750 0.647802 0.867117 Ba\n0.229215 0.845935 0.157439 Cd\n0.729215 0.154065 0.342561 Cd\n0.770785 0.154065 0.842561 Cd\n0.270785 0.845935 0.657439 Cd\n0.832609 0.811781 0.558210 P\n0.332609 0.188219 0.941790 P\n0.167391 0.188219 0.441790 P\n0.667391 0.811781 0.058210 P\n0.750132 0.220253 0.040803 P\n0.250132 0.779747 0.459197 P\n0.249868 0.779747 0.959197 P\n0.749868 0.220253 0.540803 P\n0.520582 0.190145 0.673577 P\n0.020582 0.809855 0.826423 P\n0.479418 0.809855 0.326423 P\n0.979418 0.190145 0.173577 P\n0.600207 0.580770 0.677424 P\n0.100207 0.419230 0.822576 P\n0.399793 0.419230 0.322576 P\n0.899793 0.580770 0.177424 P\n0.680050 0.697885 0.584789 O\n0.180050 0.302115 0.915211 O\n0.319950 0.302115 0.415211 O\n0.819950 0.697885 0.084789 O\n0.809817 0.994025 0.587183 O\n0.309817 0.005975 0.912817 O\n0.190183 0.005975 0.412817 O\n0.690183 0.994025 0.087183 O\n0.904514 0.199516 0.085697 O\n0.404514 0.800484 0.414303 O\n0.095486 0.800484 0.914303 O\n0.595486 0.199516 0.585697 O\n0.509191 0.423814 0.655307 O\n0.009191 0.576186 0.844693 O\n0.490809 0.576186 0.344693 O\n0.990809 0.423814 0.155307 O\n0.839833 0.890165 0.459073 O\n0.339833 0.109835 0.040927 O\n0.160167 0.109835 0.540927 O\n0.660167 0.890165 0.959073 O\n0.951782 0.686240 0.611619 O\n0.451782 0.313760 0.888381 O\n0.048218 0.313760 0.388381 O\n0.548218 0.686240 0.111619 O\n0.777566 0.286685 0.944002 O\n0.277566 0.713315 0.555998 O\n0.222434 0.713315 0.055998 O\n0.722434 0.286685 0.444002 O\n0.846763 0.353156 0.563476 O\n0.346763 0.646844 0.936524 O\n0.153237 0.646844 0.436524 O\n0.653237 0.353156 0.063476 O\n0.369521 0.126768 0.670361 O\n0.869521 0.873232 0.829639 O\n0.630479 0.873232 0.329639 O\n0.130479 0.126768 0.170361 O\n0.891451 0.073473 0.254236 O\n0.391451 0.926527 0.245764 O\n0.108549 0.926527 0.745764 O\n0.608549 0.073473 0.754236 O\n0.704708 0.477892 0.751097 O\n0.204708 0.522108 0.748903 O\n0.295292 0.522108 0.248903 O\n0.795292 0.477892 0.251097 O\n0.501093 0.723171 0.693320 O\n0.001093 0.276829 0.806680 O\n0.498907 0.276829 0.306680 O\n0.998907 0.723171 0.193320 O\n",
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{
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},
{
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"structure_string": "Na4 Mn4 V4 O16\n1.0\n0.000230 0.000355 -5.383004\n-0.000064 -6.954611 0.000461\n-9.712214 -0.000086 0.000414\nNa Mn V O\n4 4 4 16\ndirect\n0.014428 0.249875 0.351913 Na\n0.485609 0.250084 0.851952 Na\n0.985714 0.750024 0.648057 Na\n0.514264 0.749898 0.148072 Na\n0.499990 0.499955 0.500101 Mn\n0.999761 0.500210 0.999901 Mn\n0.999895 0.000100 0.000091 Mn\n0.500285 0.999924 0.499954 Mn\n0.020580 0.749956 0.319919 V\n0.479239 0.750070 0.819949 V\n0.979384 0.250050 0.680109 V\n0.520706 0.249949 0.180049 V\n0.061390 0.750041 0.137198 O\n0.438622 0.749959 0.637240 O\n0.938536 0.250131 0.862779 O\n0.561451 0.249935 0.362731 O\n0.709673 0.749876 0.377878 O\n0.790271 0.750038 0.877852 O\n0.290339 0.250116 0.622190 O\n0.209731 0.249907 0.122151 O\n0.174862 0.552704 0.385112 O\n0.325033 0.947312 0.885177 O\n0.825258 0.052784 0.614812 O\n0.674835 0.447256 0.114784 O\n0.825287 0.447258 0.614842 O\n0.674766 0.052710 0.114822 O\n0.174902 0.947035 0.385199 O\n0.325189 0.552843 0.885167 O\n",
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]
}