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{
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{
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{
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"structure_string": "Li4 Cu2 P4 O14\n1.0\n5.304102 0.073299 0.214823\n-1.759673 6.018593 -0.025173\n-0.570214 -3.344189 8.217575\nLi Cu P O\n4 2 4 14\ndirect\n0.081153 0.763383 0.013172 Li\n0.328163 0.216380 0.752947 Li\n0.671837 0.783620 0.247053 Li\n0.918847 0.236617 0.986828 Li\n0.114378 0.607192 0.378216 Cu\n0.885622 0.392808 0.621784 Cu\n0.232232 0.140164 0.390611 P\n0.591837 0.697194 0.884807 P\n0.408163 0.302806 0.115193 P\n0.767768 0.859836 0.609389 P\n0.059152 0.878627 0.330364 O\n0.044519 0.301690 0.414908 O\n0.297351 0.585534 0.872903 O\n0.259996 0.493501 0.175674 O\n0.263527 0.123425 0.950450 O\n0.561402 0.781172 0.465698 O\n0.628326 0.848820 0.765513 O\n0.371674 0.151180 0.234487 O\n0.438598 0.218828 0.534302 O\n0.736473 0.876575 0.049550 O\n0.740004 0.506499 0.824326 O\n0.702649 0.414466 0.127097 O\n0.955481 0.698310 0.585092 O\n0.940848 0.121373 0.669636 O\n",
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{
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"structure_string": "Li2 Fe8 B8 O24\n1.0\n5.337775 0.000000 0.000000\n0.065245 9.039669 0.000000\n0.098252 0.040528 10.130094\nLi Fe B O\n2 8 8 24\ndirect\n0.650280 0.002559 0.895509 Li\n0.850356 0.511772 0.653977 Li\n0.158460 0.825602 0.876686 Fe\n0.839900 0.848134 0.625539 Fe\n0.338409 0.666736 0.133324 Fe\n0.658023 0.666343 0.380825 Fe\n0.340759 0.325135 0.627260 Fe\n0.161041 0.165639 0.375040 Fe\n0.650472 0.343302 0.880287 Fe\n0.843360 0.167483 0.127030 Fe\n0.159422 0.829145 0.375959 B\n0.337588 0.658775 0.631438 B\n0.827703 0.830458 0.124808 B\n0.666136 0.679651 0.876143 B\n0.337291 0.330730 0.130538 B\n0.668319 0.328712 0.377778 B\n0.160724 0.158396 0.874848 B\n0.831030 0.180945 0.629089 B\n0.254688 0.967451 0.370550 O\n0.069910 0.800080 0.078350 O\n0.729671 0.969533 0.111363 O\n0.207407 0.778973 0.684626 O\n0.302597 0.706442 0.333696 O\n0.795145 0.810684 0.845808 O\n0.919082 0.804275 0.423968 O\n0.430268 0.696292 0.937818 O\n0.218971 0.523815 0.627243 O\n0.582395 0.674834 0.582517 O\n0.690232 0.714126 0.179468 O\n0.241706 0.469394 0.135612 O\n0.760107 0.546698 0.842877 O\n0.286511 0.278183 0.820163 O\n0.428691 0.298470 0.427807 O\n0.761297 0.467174 0.381721 O\n0.578167 0.304604 0.081569 O\n0.069728 0.196564 0.569307 O\n0.197185 0.208284 0.173460 O\n0.704631 0.314260 0.661197 O\n0.807564 0.208865 0.326666 O\n0.279768 0.022995 0.881263 O\n0.915189 0.175859 0.924690 O\n0.729702 0.050155 0.656111 O\n",
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{
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"structure_string": "Al2 Zn1 Se4\n1.0\n-2.815973 2.815973 5.496584\n2.815973 -2.815973 5.496584\n2.815973 2.815973 -5.496584\nAl Zn Se\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Zn\n0.619322 0.130726 0.014147 Se\n0.394825 0.380678 0.511404 Se\n0.869274 0.883421 0.488596 Se\n0.116579 0.605175 0.985853 Se\n",
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"formula_full": "Al2 Zn1 Se4",
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{
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"structure_string": "Sm1 Tl9 Te6\n1.0\n-9.045754 0.000000 0.000000\n0.000000 9.045754 0.000000\n4.522877 -4.522877 -6.771201\nSm Tl Te\n1 9 6\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.000000 Tl\n0.798439 0.313643 0.316640 Tl\n0.518201 0.002996 0.316640 Tl\n0.002996 0.798439 0.316640 Tl\n0.313643 0.518201 0.316640 Tl\n0.201561 0.686357 0.683360 Tl\n0.481799 0.997004 0.683360 Tl\n0.997004 0.201561 0.683360 Tl\n0.686357 0.481799 0.683360 Tl\n0.235908 0.235908 0.471815 Te\n0.764092 0.764092 0.528185 Te\n0.849896 0.322457 0.000000 Te\n0.150104 0.677543 0.000000 Te\n0.677543 0.849896 0.000000 Te\n0.322457 0.150104 0.000000 Te\n",
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{
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{
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"structure_string": "Ca2 W4 O10\n1.0\n2.129435 -5.498504 0.000000\n2.129435 5.498504 0.000000\n0.000000 0.000000 11.767525\nCa W O\n2 4 10\ndirect\n0.100041 0.899959 0.750000 Ca\n0.899959 0.100041 0.250000 Ca\n0.793886 0.206114 0.595387 W\n0.206114 0.793886 0.404613 W\n0.206114 0.793886 0.095387 W\n0.793886 0.206114 0.904613 W\n0.297087 0.702913 0.250000 O\n0.702913 0.297087 0.750000 O\n0.743452 0.256548 0.073424 O\n0.256548 0.743452 0.926576 O\n0.256548 0.743452 0.573424 O\n0.743452 0.256548 0.426576 O\n0.960753 0.039247 0.619342 O\n0.039247 0.960753 0.380658 O\n0.960753 0.039247 0.880658 O\n0.039247 0.960753 0.119342 O\n",
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{
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"structure_string": "Mn12 O7 F17\n1.0\n4.791361 0.000000 0.000000\n0.420761 5.797018 0.000000\n0.026092 0.147797 15.867716\nMn O F\n12 7 17\ndirect\n0.005436 0.851315 0.416978 Mn\n0.974250 0.163004 0.237220 Mn\n0.985967 0.847370 0.076234 Mn\n0.980568 0.850138 0.753269 Mn\n0.961494 0.165469 0.579886 Mn\n0.992292 0.149255 0.912798 Mn\n0.505163 0.643735 0.587197 Mn\n0.515020 0.689183 0.930364 Mn\n0.479440 0.666099 0.258475 Mn\n0.500638 0.350767 0.082757 Mn\n0.494735 0.345014 0.418168 Mn\n0.517042 0.331238 0.751205 Mn\n0.805405 0.896088 0.968887 O\n0.762494 0.111026 0.127071 O\n0.772912 0.117251 0.469579 O\n0.781132 0.114259 0.805767 O\n0.708362 0.374977 0.643491 O\n0.284400 0.620112 0.033232 O\n0.275804 0.615466 0.369357 O\n0.778924 0.884658 0.306064 F\n0.760748 0.875041 0.642708 F\n0.736514 0.603300 0.149776 F\n0.727021 0.382157 0.312617 F\n0.746127 0.615097 0.476236 F\n0.727971 0.614492 0.814367 F\n0.743883 0.393734 0.979091 F\n0.285297 0.377894 0.193281 F\n0.269813 0.386228 0.525461 F\n0.274990 0.366013 0.857423 F\n0.256823 0.608816 0.700929 F\n0.212616 0.876165 0.183916 F\n0.225908 0.888182 0.531332 F\n0.237257 0.107648 0.353222 F\n0.250027 0.127562 0.015508 F\n0.249874 0.879017 0.851226 F\n0.213652 0.112227 0.684903 F\n",
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{
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"structure_string": "Li4 Zr4 O10\n1.0\n3.310059 4.555772 0.000000\n-3.310059 4.555772 0.000000\n0.000000 2.918808 7.025811\nLi Zr O\n4 4 10\ndirect\n0.781445 0.184859 0.500718 Li\n0.184859 0.781445 0.000718 Li\n0.815141 0.218555 0.999282 Li\n0.218555 0.815141 0.499282 Li\n0.223001 0.278887 0.620870 Zr\n0.278887 0.223001 0.120870 Zr\n0.721113 0.776999 0.879130 Zr\n0.776999 0.721113 0.379130 Zr\n0.000000 0.500000 0.000000 O\n0.929890 0.639272 0.628340 O\n0.639272 0.929890 0.128340 O\n0.938057 0.061943 0.750000 O\n0.500000 0.500000 0.500000 O\n0.061943 0.938057 0.250000 O\n0.500000 0.500000 0.000000 O\n0.360728 0.070110 0.871660 O\n0.070110 0.360728 0.371660 O\n0.500000 0.000000 0.500000 O\n",
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{
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{
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}