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{
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{
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{
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"structure_string": "Na2 Li2 Lu4 F16\n1.0\n4.119585 -5.198088 0.000000\n4.119585 5.198088 0.000000\n0.000000 0.000000 6.989725\nNa Li Lu F\n2 2 4 16\ndirect\n0.655125 0.655125 0.250000 Na\n0.344875 0.344875 0.750000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.075283 0.450105 0.250000 Lu\n0.924717 0.549895 0.750000 Lu\n0.450105 0.075283 0.250000 Lu\n0.549895 0.924717 0.750000 Lu\n0.089542 0.089542 0.250000 F\n0.910458 0.910458 0.750000 F\n0.935361 0.655758 0.049342 F\n0.064639 0.344242 0.950658 F\n0.655758 0.935361 0.450658 F\n0.344242 0.064639 0.549342 F\n0.386538 0.386538 0.250000 F\n0.613462 0.613462 0.750000 F\n0.745928 0.305453 0.250000 F\n0.254072 0.694547 0.750000 F\n0.305453 0.745928 0.250000 F\n0.694547 0.254072 0.750000 F\n0.064639 0.344242 0.549342 F\n0.935361 0.655758 0.450658 F\n0.344242 0.064639 0.950658 F\n0.655758 0.935361 0.049342 F\n",
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{
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"structure_string": "Na20 Y4 C16 O48\n1.0\n10.208517 0.000000 0.000000\n0.000000 8.876306 0.000000\n0.000000 0.057870 12.365705\nNa Y C O\n20 4 16 48\ndirect\n0.625538 0.453339 0.074616 Na\n0.374307 0.195488 0.788428 Na\n0.823119 0.987021 0.365497 Na\n0.920284 0.576766 0.598707 Na\n0.872994 0.584455 0.894881 Na\n0.125693 0.695488 0.788428 Na\n0.079716 0.423234 0.401293 Na\n0.874307 0.304512 0.211572 Na\n0.627006 0.084455 0.894881 Na\n0.676881 0.487021 0.365497 Na\n0.125538 0.046661 0.925384 Na\n0.127006 0.415545 0.105119 Na\n0.579716 0.076766 0.598707 Na\n0.420284 0.923234 0.401293 Na\n0.874462 0.953339 0.074616 Na\n0.176881 0.012979 0.634503 Na\n0.625693 0.804512 0.211572 Na\n0.323119 0.512979 0.634503 Na\n0.374462 0.546661 0.925384 Na\n0.372994 0.915545 0.105119 Na\n0.376302 0.285351 0.276397 Y\n0.623698 0.714649 0.723603 Y\n0.123698 0.785351 0.276397 Y\n0.876302 0.214649 0.723603 Y\n0.865770 0.261978 0.496264 C\n0.365770 0.238022 0.503736 C\n0.618419 0.142682 0.218306 C\n0.391529 0.244728 0.013211 C\n0.866328 0.888514 0.722279 C\n0.133672 0.111486 0.277721 C\n0.134230 0.738022 0.503736 C\n0.634230 0.761978 0.496264 C\n0.633672 0.388514 0.722279 C\n0.381581 0.857318 0.781694 C\n0.108471 0.744728 0.013211 C\n0.366328 0.611486 0.277721 C\n0.118419 0.357318 0.781694 C\n0.891529 0.255272 0.986789 C\n0.881581 0.642682 0.218306 C\n0.608471 0.755272 0.986789 C\n0.836698 0.380088 0.013128 O\n0.847540 0.176127 0.903914 O\n0.652460 0.676127 0.903914 O\n0.868001 0.743546 0.731504 O\n0.746945 0.457069 0.728813 O\n0.753055 0.957069 0.728813 O\n0.989827 0.564085 0.222820 O\n0.298998 0.349503 0.461962 O\n0.368001 0.756454 0.268496 O\n0.988557 0.200838 0.042498 O\n0.511443 0.700838 0.042498 O\n0.489827 0.935915 0.777180 O\n0.970219 0.968105 0.706906 O\n0.151776 0.688834 0.599861 O\n0.348224 0.188834 0.599861 O\n0.798998 0.150497 0.538038 O\n0.701002 0.650497 0.538038 O\n0.131999 0.256454 0.268496 O\n0.394250 0.711048 0.770874 O\n0.011443 0.799162 0.957502 O\n0.954812 0.323728 0.559641 O\n0.510173 0.064085 0.222820 O\n0.529781 0.468105 0.706906 O\n0.201002 0.849503 0.461962 O\n0.730966 0.081446 0.206040 O\n0.230966 0.418554 0.793960 O\n0.045188 0.676272 0.440359 O\n0.663302 0.880088 0.013128 O\n0.488557 0.299162 0.957502 O\n0.152460 0.823873 0.096086 O\n0.848224 0.311166 0.400139 O\n0.894250 0.788952 0.229126 O\n0.769034 0.581446 0.206040 O\n0.029781 0.031895 0.293094 O\n0.631999 0.243546 0.731504 O\n0.163302 0.619912 0.986872 O\n0.010173 0.435915 0.777180 O\n0.651776 0.811166 0.400139 O\n0.347540 0.323873 0.096086 O\n0.605750 0.288952 0.229126 O\n0.269034 0.918554 0.793960 O\n0.454812 0.176272 0.440359 O\n0.470219 0.531895 0.293094 O\n0.253055 0.542931 0.271187 O\n0.545188 0.823728 0.559641 O\n0.336698 0.119912 0.986872 O\n0.246945 0.042931 0.271187 O\n0.105750 0.211048 0.770874 O\n",
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{
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"structure_string": "Cs6 Ca3 Al12 Si12 O48\n1.0\n12.497408 0.073823 -0.016035\n0.075103 12.363035 -0.057318\n-0.014196 -0.056799 12.273120\nCs Ca Al Si O\n6 3 12 12 48\ndirect\n0.021137 0.518461 0.509046 Cs\n0.458412 0.449061 0.087450 Cs\n0.531048 0.022157 0.486411 Cs\n0.294819 0.738458 0.261937 Cs\n0.607253 0.588460 0.840497 Cs\n0.896435 0.100214 0.101058 Cs\n0.779235 0.189171 0.809833 Ca\n0.774313 0.810529 0.197299 Ca\n0.832705 0.837984 0.814476 Ca\n0.013934 0.813523 0.369205 Al\n0.005367 0.632090 0.818407 Al\n0.187776 0.372116 0.995675 Al\n0.372208 0.816409 0.987532 Al\n0.623102 0.016008 0.189163 Al\n0.629479 0.187013 0.009240 Al\n0.629515 0.985563 0.815328 Al\n0.622855 0.811450 0.998773 Al\n0.823613 0.990447 0.370146 Al\n0.841723 0.011169 0.630924 Al\n0.828872 0.371603 0.982844 Al\n0.832617 0.634881 0.009025 Al\n0.006702 0.365348 0.177678 Si\n0.013193 0.194668 0.620653 Si\n0.013908 0.618236 0.195834 Si\n0.027353 0.825223 0.631280 Si\n0.197989 0.009165 0.616971 Si\n0.191106 0.621102 0.008682 Si\n0.188530 0.006615 0.363511 Si\n0.373494 0.011263 0.175838 Si\n0.377271 0.184291 0.988774 Si\n0.381660 0.998751 0.802008 Si\n0.000316 0.182203 0.365292 Si\n0.006043 0.378489 0.800824 Si\n0.002638 0.228540 0.491869 O\n0.996574 0.490229 0.228056 O\n0.029113 0.308126 0.686154 O\n0.030292 0.683587 0.310095 O\n0.984230 0.502465 0.760284 O\n0.025074 0.722092 0.710591 O\n0.110398 0.111656 0.344234 O\n0.118723 0.345058 0.116996 O\n0.105027 0.365285 0.881943 O\n0.128280 0.892654 0.345993 O\n0.114083 0.110824 0.637551 O\n0.124065 0.633005 0.126649 O\n0.109293 0.634805 0.909322 O\n0.139004 0.894458 0.639611 O\n0.238980 0.013489 0.489062 O\n0.247529 0.501337 0.009947 O\n0.297340 0.286262 0.981256 O\n0.302709 0.018763 0.694087 O\n0.280815 0.713472 0.014855 O\n0.288167 0.011503 0.279488 O\n0.349703 0.117298 0.100775 O\n0.366911 0.105463 0.881220 O\n0.357706 0.901534 0.105092 O\n0.352160 0.890034 0.866376 O\n0.489495 0.015838 0.236243 O\n0.497138 0.234865 0.998473 O\n0.498389 0.751569 0.989065 O\n0.503742 0.994769 0.751219 O\n0.663183 0.138889 0.136886 O\n0.655999 0.092666 0.903813 O\n0.650872 0.908481 0.097962 O\n0.662362 0.854784 0.865652 O\n0.745874 0.006940 0.734174 O\n0.720893 0.284788 0.962875 O\n0.721165 0.716066 0.039844 O\n0.706763 0.969338 0.295028 O\n0.787710 0.993621 0.505516 O\n0.790256 0.505299 0.982228 O\n0.897244 0.108967 0.339669 O\n0.905765 0.337160 0.098683 O\n0.896631 0.328131 0.856610 O\n0.898383 0.876591 0.318237 O\n0.901977 0.139194 0.662793 O\n0.908572 0.664887 0.130315 O\n0.889302 0.685458 0.886325 O\n0.929814 0.906373 0.675165 O\n0.999969 0.288022 0.287158 O\n0.006106 0.784445 0.508152 O\n",
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{
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