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{
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{
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{
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"structure_string": "K8 Mn4 Sn4 Se16\n1.0\n8.257138 -0.000000 0.000000\n-0.000000 10.635922 0.000000\n0.000000 0.000000 10.635922\nK Mn Sn Se\n8 4 4 16\ndirect\n0.750000 0.252700 0.247300 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.750000 0.747300 0.752699 K\n0.250000 0.000000 0.500000 K\n0.750000 0.500000 0.000000 K\n0.250000 0.247300 0.747300 K\n0.250000 0.752699 0.252700 K\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.750000 0.000000 0.500000 Mn\n0.250000 0.500000 0.000000 Mn\n0.750000 0.221512 0.721511 Sn\n0.750000 0.778488 0.278488 Sn\n0.250000 0.278488 0.221512 Sn\n0.250000 0.721511 0.778488 Sn\n0.395449 0.937216 0.788043 Se\n0.895450 0.437216 0.711956 Se\n0.895450 0.562784 0.288044 Se\n0.568085 0.194877 0.525304 Se\n0.604551 0.788043 0.062784 Se\n0.604551 0.211956 0.937216 Se\n0.568085 0.805123 0.474696 Se\n0.431915 0.525304 0.805123 Se\n0.931915 0.025304 0.694877 Se\n0.104551 0.711956 0.562784 Se\n0.431915 0.474696 0.194877 Se\n0.931915 0.974696 0.305123 Se\n0.104551 0.288044 0.437216 Se\n0.068085 0.305123 0.025304 Se\n0.068085 0.694877 0.974696 Se\n0.395449 0.062784 0.211956 Se\n",
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{
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"structure_string": "P12 Se16 I4\n1.0\n0.000000 11.302487 0.048383\n6.515072 0.000000 0.000000\n0.000000 -6.566263 -12.703941\nP Se I\n12 16 4\ndirect\n0.828168 0.148520 0.868790 P\n0.709737 0.274739 0.548619 P\n0.290264 0.774739 0.951381 P\n0.709737 0.225261 0.048619 P\n0.670379 0.606872 0.508970 P\n0.329622 0.106873 0.991030 P\n0.290264 0.725261 0.451381 P\n0.670379 0.893127 0.008970 P\n0.828168 0.351480 0.368790 P\n0.171833 0.851480 0.131210 P\n0.171833 0.648519 0.631210 P\n0.329621 0.393127 0.491030 P\n0.463171 0.827645 0.609564 Se\n0.638503 0.174197 0.272631 Se\n0.361497 0.674196 0.227369 Se\n0.361498 0.825803 0.727369 Se\n0.638503 0.325803 0.772631 Se\n0.536829 0.172354 0.390436 Se\n0.463171 0.672354 0.109564 Se\n0.536830 0.327646 0.890436 Se\n0.897420 0.207989 0.532999 Se\n0.253608 0.165759 0.111399 Se\n0.253608 0.334241 0.611399 Se\n0.746393 0.834241 0.888602 Se\n0.102581 0.707989 0.967001 Se\n0.102581 0.792010 0.467001 Se\n0.897419 0.292010 0.032999 Se\n0.746392 0.665758 0.388602 Se\n0.142714 0.236403 0.815055 I\n0.857287 0.763597 0.184945 I\n0.142714 0.263597 0.315055 I\n0.857287 0.736402 0.684945 I\n",
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{
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"structure_string": "Nb12 Cl28\n1.0\n9.185334 0.009282 -0.000000\n-0.874913 9.143576 -0.000000\n0.000000 0.000000 11.068346\nNb Cl\n12 28\ndirect\n0.173805 0.954778 0.112270 Nb\n0.138407 0.138407 0.900654 Nb\n0.638407 0.638407 0.599346 Nb\n0.861593 0.861594 0.099346 Nb\n0.954777 0.173804 0.112270 Nb\n0.361593 0.361593 0.400654 Nb\n0.673804 0.454778 0.387731 Nb\n0.826195 0.045222 0.887731 Nb\n0.045223 0.826196 0.887731 Nb\n0.454778 0.673805 0.387731 Nb\n0.545222 0.326195 0.612270 Nb\n0.326196 0.545222 0.612270 Nb\n0.533178 0.283218 0.249335 Cl\n0.283219 0.533178 0.249335 Cl\n0.216782 0.966823 0.749336 Cl\n0.033178 0.783219 0.250665 Cl\n0.466822 0.716782 0.750665 Cl\n0.716781 0.466822 0.750665 Cl\n0.783218 0.033178 0.250665 Cl\n0.966822 0.216781 0.749336 Cl\n0.898578 0.398579 0.250000 Cl\n0.349347 0.349347 0.769833 Cl\n0.601421 0.101421 0.750000 Cl\n0.101421 0.601422 0.750000 Cl\n0.398579 0.898579 0.250000 Cl\n0.116780 0.367842 0.010781 Cl\n0.383220 0.132158 0.510781 Cl\n0.867842 0.616780 0.489219 Cl\n0.632158 0.883221 0.989220 Cl\n0.650653 0.650653 0.230168 Cl\n0.883220 0.632158 0.989220 Cl\n0.132158 0.383221 0.510781 Cl\n0.367842 0.116780 0.010781 Cl\n0.254328 0.745672 0.000000 Cl\n0.245672 0.754328 0.500000 Cl\n0.745672 0.254328 0.000000 Cl\n0.754328 0.245672 0.500000 Cl\n0.150653 0.150653 0.269833 Cl\n0.616780 0.867843 0.489219 Cl\n0.849347 0.849347 0.730168 Cl\n",
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"structure_string": "Na16 Ca8 P8 O32 F8\n1.0\n7.111886 0.000000 0.000000\n0.000000 9.770519 -4.256343\n0.000000 0.006739 13.351551\nNa Ca P O F\n16 8 8 32 8\ndirect\n0.745957 0.177437 0.090764 Na\n0.254043 0.822563 0.909237 Na\n0.976777 0.453994 0.164569 Na\n0.023223 0.546006 0.835431 Na\n0.226209 0.910887 0.588221 Na\n0.980451 0.761676 0.330197 Na\n0.480451 0.738325 0.669804 Na\n0.523224 0.953994 0.164569 Na\n0.273791 0.410887 0.588221 Na\n0.245957 0.322563 0.909237 Na\n0.754044 0.677437 0.090764 Na\n0.519550 0.261675 0.330197 Na\n0.773792 0.089113 0.411779 Na\n0.019549 0.238325 0.669803 Na\n0.726209 0.589113 0.411779 Na\n0.476777 0.046006 0.835431 Na\n0.493025 0.550060 0.827343 Ca\n0.012426 0.697567 0.668799 Ca\n0.006976 0.050060 0.827343 Ca\n0.487575 0.197567 0.668799 Ca\n0.993025 0.949941 0.172657 Ca\n0.506976 0.449941 0.172657 Ca\n0.987575 0.302433 0.331201 Ca\n0.512426 0.802433 0.331202 Ca\n0.258337 0.059188 0.413681 P\n0.744759 0.355157 0.915888 P\n0.758337 0.440812 0.586319 P\n0.755242 0.855157 0.915889 P\n0.255242 0.644844 0.084112 P\n0.241664 0.559188 0.413681 P\n0.741664 0.940812 0.586320 P\n0.244758 0.144844 0.084112 P\n0.248757 0.997896 0.083966 O\n0.923915 0.276328 0.858112 O\n0.722575 0.585165 0.585559 O\n0.900879 0.903698 0.650276 O\n0.235147 0.132633 0.964492 O\n0.099121 0.096302 0.349724 O\n0.433081 0.720639 0.147452 O\n0.251243 0.497896 0.083966 O\n0.264853 0.632633 0.964493 O\n0.277426 0.414835 0.414441 O\n0.735148 0.367367 0.035508 O\n0.748757 0.502104 0.916034 O\n0.751244 0.002104 0.916034 O\n0.423915 0.223672 0.141888 O\n0.266407 0.169200 0.532056 O\n0.599121 0.403698 0.650276 O\n0.076085 0.723672 0.141888 O\n0.764853 0.867367 0.035508 O\n0.733594 0.830800 0.467944 O\n0.549454 0.950995 0.644843 O\n0.450546 0.049005 0.355157 O\n0.777426 0.085165 0.585559 O\n0.049454 0.549005 0.355157 O\n0.233594 0.669200 0.532056 O\n0.576086 0.776328 0.858112 O\n0.950547 0.450995 0.644843 O\n0.400879 0.596302 0.349724 O\n0.066919 0.220639 0.147452 O\n0.766407 0.330800 0.467944 O\n0.222574 0.914835 0.414441 O\n0.566919 0.279361 0.852549 O\n0.933081 0.779361 0.852549 O\n0.730076 0.380095 0.264592 F\n0.771614 0.119792 0.240675 F\n0.230077 0.119905 0.735408 F\n0.269924 0.619905 0.735408 F\n0.271614 0.380208 0.759325 F\n0.769925 0.880095 0.264593 F\n0.728387 0.619792 0.240675 F\n0.228386 0.880208 0.759325 F\n",
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"structure_string": "Li2 Se1\n1.0\n9.091301 -0.000000 0.000000\n-0.000000 9.091301 0.000000\n0.000000 -0.000000 11.224076\nLi Se\n2 1\ndirect\n0.000000 0.000000 0.194737 Li\n0.000000 0.000000 0.805263 Li\n0.000000 0.000000 0.000000 Se\n",
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