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"structure_string": "Al4 Te4 O16\n1.0\n4.564217 0.000000 0.000000\n0.000000 4.921016 0.000000\n0.000000 0.000000 11.595960\nAl Te O\n4 4 16\ndirect\n0.000000 0.750001 0.435902 Al\n0.000000 0.250000 0.564098 Al\n0.500000 0.250000 0.064098 Al\n0.500000 0.750001 0.935902 Al\n0.000000 0.750001 0.165855 Te\n0.000000 0.250000 0.834145 Te\n0.500000 0.750001 0.665855 Te\n0.500000 0.250000 0.334145 Te\n0.227905 0.570702 0.550935 O\n0.227905 0.070701 0.449065 O\n0.272095 0.070701 0.949065 O\n0.272095 0.570702 0.050935 O\n0.275824 0.589559 0.813620 O\n0.275824 0.089559 0.186380 O\n0.724176 0.910442 0.813620 O\n0.772095 0.929299 0.550935 O\n0.727906 0.429299 0.949065 O\n0.727906 0.929299 0.050935 O\n0.224176 0.589559 0.313620 O\n0.772095 0.429299 0.449065 O\n0.775825 0.410441 0.686380 O\n0.775825 0.910442 0.313620 O\n0.724176 0.410441 0.186380 O\n0.224176 0.089559 0.686380 O\n",
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{
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"structure_string": "Ga4 Te2 S4\n1.0\n6.208896 -0.000000 -3.541435\n-2.019966 5.871127 -3.541435\n-0.020396 -0.028588 7.177723\nGa Te S\n4 2 4\ndirect\n0.883960 0.160820 0.321640 Ga\n0.410819 0.187679 0.821639 Ga\n0.437680 0.160820 0.321640 Ga\n0.410819 0.633960 0.821640 Ga\n0.247161 0.747162 0.494325 Te\n-0.002838 -0.002838 -0.005675 Te\n0.636399 0.378708 0.272799 S\n0.144089 0.386399 0.772798 S\n0.628708 0.386399 0.772798 S\n0.636398 0.894090 0.272799 S\n",
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"structure_string": "Na2 Li1 Y1 Cl6\n1.0\n6.206806 -0.000000 3.583501\n2.068935 5.851833 3.583501\n-0.000000 -0.000000 7.167003\nNa Li Y Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500001 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Y\n0.743792 0.256208 0.256208 Cl\n0.256209 0.256208 0.743791 Cl\n0.256209 0.743791 0.743791 Cl\n0.256209 0.743791 0.256208 Cl\n0.743792 0.256208 0.743791 Cl\n0.743793 0.743791 0.256208 Cl\n",
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{
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"structure_string": "Nd2 Co2 Sb2 Pb2 O12\n1.0\n5.781385 0.000000 0.000000\n0.000000 4.644015 3.230815\n0.000000 0.047116 9.728293\nNd Co Sb Pb O\n2 2 2 2 12\ndirect\n0.807584 0.267683 0.247641 Nd\n0.192417 0.267683 0.747640 Nd\n0.738932 0.504163 0.497517 Co\n0.261069 0.504164 0.997517 Co\n0.740603 -0.000068 0.000742 Sb\n0.259398 -0.000068 0.500741 Sb\n0.726807 0.748062 0.747484 Pb\n0.273194 0.748061 0.247485 Pb\n0.019179 0.744224 0.041849 O\n0.980821 0.744225 0.541849 O\n0.778357 0.179246 0.752150 O\n0.221644 0.179245 0.252150 O\n0.735872 0.853137 0.246644 O\n0.553464 0.656717 0.049493 O\n0.962390 0.311486 0.963023 O\n0.037611 0.311485 0.463023 O\n0.548455 0.235359 0.453451 O\n0.446537 0.656717 0.549492 O\n0.264129 0.853138 0.746643 O\n0.451545 0.235359 0.953450 O\n",
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{
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"created_at": "2022-09-04T14:36:35.067141Z",
"updated_at": "2022-09-04T14:36:35.067170Z",
"structure_string": "Ba1 Si1 P4 H2 O14\n1.0\n4.629662 0.000802 0.002342\n1.639266 6.441255 -0.035343\n0.714847 2.146781 8.717368\nBa Si P H O\n1 1 4 2 14\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 -0.000000 0.500000 Si\n0.412076 0.173378 0.665042 P\n0.587926 0.826621 0.334958 P\n0.090271 0.567256 0.739877 P\n0.909730 0.432742 0.260123 P\n0.542596 0.546962 0.834705 H\n0.457406 0.453037 0.165295 H\n0.879909 0.445705 0.837005 O\n0.120093 0.554294 0.162995 O\n0.920233 0.775730 0.637919 O\n0.079769 0.224268 0.362082 O\n0.716306 0.570149 0.372459 O\n0.283695 0.429850 0.627541 O\n0.146826 0.078150 0.649173 O\n0.356281 0.848488 0.463428 O\n0.853175 0.921849 0.350828 O\n0.316826 0.619316 0.836391 O\n0.488351 0.902713 0.171457 O\n0.511651 0.097285 0.828543 O\n0.643721 0.151511 0.536573 O\n0.683176 0.380683 0.163609 O\n",
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{
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"structure_string": "Y2 Co4 S8\n1.0\n6.343616 0.000000 -3.330479\n-1.748544 6.097874 -3.330479\n-0.291561 -0.386915 7.151294\nY Co S\n2 4 8\ndirect\n0.375002 0.625001 0.750000 Y\n0.625000 0.375000 0.250000 Y\n0.000000 0.500001 0.000001 Co\n0.000001 0.000000 0.500000 Co\n0.500001 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.771527 0.814326 0.543053 S\n0.771274 0.228475 0.956949 S\n0.185676 0.228475 0.956948 S\n0.228474 0.185674 0.456948 S\n0.228473 0.771272 0.456946 S\n0.228727 0.771526 0.043053 S\n0.771527 0.228727 0.543052 S\n0.814326 0.771526 0.043052 S\n",
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"structure_string": "Ta10 Si6\n1.0\n3.771504 -6.532437 0.000000\n3.771504 6.532437 0.000000\n0.000000 -0.000000 5.282043\nTa Si\n10 6\ndirect\n-0.000000 0.243839 0.250000 Ta\n-0.000001 0.756160 0.750000 Ta\n0.756160 -0.000001 0.750000 Ta\n0.756160 0.756160 0.250000 Ta\n0.243839 -0.000000 0.250000 Ta\n0.243839 0.243839 0.750000 Ta\n0.333332 0.666667 0.500000 Ta\n0.666667 0.333332 0.000000 Ta\n0.666667 0.333332 0.500000 Ta\n0.333332 0.666667 0.000000 Ta\n0.395561 0.395561 0.250000 Si\n0.395562 -0.000000 0.750000 Si\n-0.000000 0.395562 0.750000 Si\n-0.000000 0.604438 0.250000 Si\n0.604438 -0.000000 0.250000 Si\n0.604437 0.604437 0.750000 Si\n",
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"structure_string": "Ba4 Mg1 Se1\n1.0\n-0.000000 5.067230 5.067230\n5.067230 -0.000000 5.067230\n5.067230 5.067230 0.000000\nBa Mg Se\n4 1 1\ndirect\n0.120989 0.626337 0.626337 Ba\n0.626337 0.626337 0.626337 Ba\n0.626337 0.120989 0.626337 Ba\n0.626337 0.626337 0.120989 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Se\n",
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{
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"structure_string": "Sn1 H14 C8 O6\n1.0\n5.232450 0.055293 -0.039729\n-0.380411 5.460621 -1.803360\n0.175931 -0.262598 9.186663\nSn H C O\n1 14 8 6\ndirect\n0.265714 0.332244 0.680772 Sn\n0.944842 0.310292 0.485309 H\n0.878873 0.377251 0.837346 H\n0.896820 0.424196 0.097039 H\n0.777715 0.859269 0.263559 H\n0.069357 0.767354 0.313820 H\n0.924192 0.809791 0.560749 H\n0.863653 0.335026 0.261271 H\n0.650863 0.074950 0.905932 H\n0.760940 0.928095 0.028768 H\n0.406959 0.065254 0.210104 H\n0.218208 0.120409 0.068128 H\n0.396275 0.498296 0.281947 H\n0.446947 0.501153 0.092306 H\n0.652506 0.615768 0.487035 H\n0.503770 0.412110 0.175112 C\n0.414203 0.137388 0.113421 C\n0.584656 0.977022 0.985011 C\n0.763444 0.777398 0.478375 C\n0.861146 0.729335 0.311646 C\n0.599848 0.993884 0.541532 C\n0.449787 0.746737 0.880615 C\n0.792802 0.462567 0.206830 C\n0.628157 0.191559 0.510101 O\n-0.007034 0.238663 0.806107 O\n0.130099 0.356797 0.487671 O\n0.580878 0.549127 0.815501 O\n0.215722 0.731309 0.844473 O\n0.416817 0.979319 0.636067 O\n",
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{
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"structure_string": "Bi4 Se2 O12\n1.0\n5.746835 -0.116874 -0.000109\n-0.107347 5.760967 0.000112\n2.873614 -0.058866 7.862414\nBi Se O\n4 2 12\ndirect\n0.124775 0.502829 0.655289 Bi\n0.621863 0.010281 0.656322 Bi\n0.280064 0.002820 0.344711 Bi\n0.778184 0.510269 0.343682 Bi\n0.002749 0.085609 0.050824 Se\n0.553574 0.585638 -0.050825 Se\n0.160045 0.283444 0.129237 O\n0.473016 0.608279 0.161734 O\n0.451096 0.264410 0.505665 O\n0.456771 0.764410 0.494332 O\n-0.043936 0.248091 0.496931 O\n0.789230 0.783523 0.870766 O\n0.676872 0.337802 0.855439 O\n0.032253 0.837756 0.144551 O\n0.134762 0.108255 0.838265 O\n0.348764 0.659228 0.858135 O\n-0.047009 0.748093 0.503073 O\n0.706916 0.159267 0.141864 O\n",
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}