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{
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{
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{
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"structure_string": "Rb4 Ag4 Se16\n1.0\n5.903325 0.000000 0.000000\n0.000000 9.235376 0.000000\n0.000000 0.000000 13.806951\nRb Ag Se\n4 4 16\ndirect\n0.181963 0.440467 0.160284 Rb\n0.681963 0.059533 0.839716 Rb\n0.818037 0.940467 0.339716 Rb\n0.318037 0.559533 0.660284 Rb\n0.964305 0.868625 0.065645 Ag\n0.464305 0.631375 0.934355 Ag\n0.035695 0.368625 0.434355 Ag\n0.535695 0.131375 0.565645 Ag\n0.874389 0.307891 0.609889 Se\n0.374389 0.192109 0.390111 Se\n0.125611 0.807891 0.890111 Se\n0.625611 0.692109 0.109889 Se\n0.135827 0.132829 0.673828 Se\n0.635827 0.367171 0.326172 Se\n0.864173 0.632829 0.826172 Se\n0.364173 0.867171 0.173828 Se\n0.813200 0.132963 0.104494 Se\n0.313200 0.367037 0.895506 Se\n0.186800 0.632963 0.395506 Se\n0.686800 0.867037 0.604494 Se\n0.423572 0.081052 0.075190 Se\n0.923572 0.418948 0.924810 Se\n0.576428 0.581052 0.424810 Se\n0.076428 0.918948 0.575190 Se\n",
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{
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"structure_string": "K1 Mg1 H3\n1.0\n4.435872 0.000000 0.000000\n0.000000 4.435872 0.000000\n0.000000 0.000000 4.435872\nK Mg H\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.000000 H\n",
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{
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"structure_string": "V6 O2 F22\n1.0\n5.275285 0.000000 0.000000\n0.000000 5.442213 0.000000\n0.000000 2.647542 14.353691\nV O F\n6 2 22\ndirect\n0.000032 0.249964 0.000012 V\n0.493174 0.084445 0.327570 V\n0.993174 0.915555 0.672430 V\n0.500032 0.750036 0.999988 V\n0.998326 0.582564 0.334194 V\n0.498326 0.417436 0.665806 V\n0.917896 0.873379 0.781706 O\n0.417896 0.126621 0.218294 O\n0.799553 0.221813 0.640847 F\n0.700418 0.058844 0.974972 F\n0.295537 0.109613 0.691208 F\n0.913759 0.206603 0.118814 F\n0.586906 0.040305 0.450875 F\n0.086906 0.959695 0.549125 F\n0.413759 0.793397 0.881186 F\n0.795537 0.890387 0.308792 F\n0.706148 0.723586 0.641016 F\n0.799466 0.558513 0.975055 F\n0.200418 0.941156 0.025028 F\n0.299553 0.778187 0.359153 F\n0.201285 0.611745 0.691507 F\n0.586498 0.706529 0.118781 F\n0.915029 0.539360 0.452463 F\n0.585974 0.373197 0.784637 F\n0.085974 0.626803 0.215363 F\n0.415029 0.460640 0.547537 F\n0.086498 0.293471 0.881219 F\n0.701285 0.388255 0.308493 F\n0.299466 0.441487 0.024945 F\n0.206148 0.276414 0.358984 F\n",
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{
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{
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"structure_string": "Mg12 Ni2 Bi2\n1.0\n4.860600 0.000000 0.000000\n0.000000 6.470510 0.000000\n0.000000 0.000000 10.739962\nMg Ni Bi\n12 2 2\ndirect\n0.500000 0.246866 0.585774 Mg\n0.500000 0.753134 0.585774 Mg\n0.000000 0.276430 0.412534 Mg\n0.000000 0.723570 0.412534 Mg\n0.000000 0.000000 0.674756 Mg\n0.000000 0.000000 0.159429 Mg\n0.500000 0.746866 0.085774 Mg\n0.500000 0.253134 0.085774 Mg\n0.000000 0.776430 0.912534 Mg\n0.000000 0.223570 0.912534 Mg\n0.000000 0.500000 0.174756 Mg\n0.000000 0.500000 0.659429 Mg\n0.500000 0.000000 0.834272 Ni\n0.500000 0.500000 0.334272 Ni\n0.500000 0.000000 0.334931 Bi\n0.500000 0.500000 0.834931 Bi\n",
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{
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"structure_string": "Mn19 Fe17 O48\n1.0\n3.067049 5.329030 0.000000\n-3.067049 5.329030 0.000000\n0.000000 0.100167 30.076997\nMn Fe O\n19 17 48\ndirect\n0.833994 0.833994 0.227576 Mn\n0.668846 0.668846 0.332806 Mn\n0.499192 0.499192 0.249157 Mn\n0.500882 0.500882 0.436977 Mn\n0.165510 0.165510 0.395828 Mn\n0.833606 0.833606 0.416781 Mn\n0.834490 0.834490 0.604172 Mn\n0.331154 0.331154 0.667194 Mn\n0.499118 0.499118 0.563023 Mn\n0.166006 0.166006 0.772424 Mn\n0.166394 0.166394 0.583219 Mn\n0.666607 0.666607 0.833949 Mn\n0.498849 0.498849 0.938419 Mn\n0.500808 0.500808 0.750843 Mn\n0.501151 0.501151 0.061581 Mn\n0.000000 0.000000 0.000000 Mn\n0.167326 0.167326 0.894288 Mn\n0.832674 0.832674 0.105712 Mn\n0.333393 0.333393 0.166051 Mn\n0.164287 0.164287 0.271844 Fe\n0.665306 0.163688 0.333550 Fe\n0.000000 0.000000 0.500000 Fe\n0.163688 0.665306 0.333550 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.334694 0.836312 0.666450 Fe\n0.836312 0.334694 0.666450 Fe\n0.665757 0.170385 0.833263 Fe\n0.170385 0.665757 0.833263 Fe\n0.833280 0.833280 0.916511 Fe\n0.000000 0.500000 0.000000 Fe\n0.835713 0.835713 0.728156 Fe\n0.500000 0.000000 0.000000 Fe\n0.166720 0.166720 0.083489 Fe\n0.334243 0.829615 0.166737 Fe\n0.829615 0.334243 0.166737 Fe\n0.825854 0.322300 0.294454 O\n0.503065 0.503065 0.366534 O\n0.322300 0.825854 0.294454 O\n0.338649 0.338649 0.294127 O\n0.139155 0.679807 0.462823 O\n0.976916 0.976916 0.375181 O\n0.831843 0.831843 0.297766 O\n0.997190 0.528987 0.372633 O\n0.831415 0.831415 0.534943 O\n0.679807 0.139155 0.462823 O\n0.688725 0.688725 0.458016 O\n0.528987 0.997190 0.372633 O\n0.471013 0.002810 0.627367 O\n0.311275 0.311275 0.541984 O\n0.320193 0.860845 0.537177 O\n0.168585 0.168585 0.465057 O\n0.002810 0.471013 0.627367 O\n0.168157 0.168157 0.702234 O\n0.860845 0.320193 0.537177 O\n0.023084 0.023084 0.624819 O\n0.806999 0.355462 0.798245 O\n0.661351 0.661351 0.705873 O\n0.677700 0.174146 0.705546 O\n0.496935 0.496935 0.633466 O\n0.355462 0.806999 0.798245 O\n0.485728 0.485728 0.870257 O\n0.348159 0.348159 0.795245 O\n0.174146 0.677700 0.705546 O\n0.128568 0.693387 0.961679 O\n0.979796 0.979796 0.872928 O\n0.846882 0.846882 0.792247 O\n0.974117 0.540625 0.871305 O\n0.818870 0.818870 0.036949 O\n0.693387 0.128568 0.961679 O\n0.685328 0.685328 0.959639 O\n0.540625 0.974117 0.871305 O\n0.459375 0.025883 0.128695 O\n0.314672 0.314672 0.040361 O\n0.181130 0.181130 0.963051 O\n0.153118 0.153118 0.207753 O\n0.306613 0.871432 0.038321 O\n0.025883 0.459375 0.128695 O\n0.020204 0.020204 0.127072 O\n0.871432 0.306613 0.038321 O\n0.651841 0.651841 0.204755 O\n0.644538 0.193001 0.201755 O\n0.514272 0.514272 0.129743 O\n0.193001 0.644538 0.201755 O\n",
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{
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{
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{
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{
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"structure_string": "Bi4 Pd6 Se4\n1.0\n4.287231 5.972927 0.000000\n-4.287231 5.972927 0.000000\n0.000000 5.904562 6.175331\nBi Pd Se\n4 6 4\ndirect\n0.250609 0.250609 0.741113 Bi\n0.749391 0.749391 0.258887 Bi\n0.214992 0.214992 0.303353 Bi\n0.785008 0.785008 0.696647 Bi\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.024859 0.024859 0.198518 Pd\n0.975141 0.975141 0.801482 Pd\n0.722928 0.277072 0.500000 Pd\n0.277072 0.722928 0.500000 Pd\n0.742728 0.322167 0.178664 Se\n0.322167 0.742728 0.178664 Se\n0.257272 0.677833 0.821336 Se\n0.677833 0.257272 0.821336 Se\n",
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"volume": 316.26732681432236,
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}