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{
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{
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"structure_string": "Re12 Se28 Br28\n1.0\n4.936559 -8.550372 0.000000\n4.936559 8.550372 0.000000\n0.000000 0.000000 24.651279\nRe Se Br\n12 28 28\ndirect\n0.853171 0.028346 0.421307 Re\n0.636719 0.479376 0.659393 Re\n0.479376 0.636719 0.159393 Re\n0.146829 0.175175 0.921307 Re\n0.971654 0.824825 0.421307 Re\n0.157343 0.520624 0.159393 Re\n0.175175 0.146829 0.421307 Re\n0.824825 0.971654 0.921307 Re\n0.028346 0.853171 0.921307 Re\n0.520624 0.157343 0.659393 Re\n0.363281 0.842657 0.159393 Re\n0.842657 0.363281 0.659393 Re\n0.000000 0.000000 0.998480 Se\n0.457392 0.297585 0.732009 Se\n0.000000 0.000000 0.498480 Se\n0.937316 0.659179 0.646413 Se\n0.340821 0.278137 0.646413 Se\n0.666667 0.333333 0.581757 Se\n0.278137 0.340821 0.146413 Se\n0.542608 0.840193 0.232009 Se\n0.159807 0.702415 0.232009 Se\n0.208381 0.034038 0.848364 Se\n0.702415 0.159807 0.732009 Se\n0.052309 0.325321 0.433702 Se\n0.726988 0.674679 0.933702 Se\n0.062684 0.721863 0.146413 Se\n0.273012 0.947691 0.433702 Se\n0.965962 0.174343 0.848364 Se\n0.840193 0.542608 0.732009 Se\n0.333333 0.666667 0.081757 Se\n0.297585 0.457392 0.232009 Se\n0.325321 0.052309 0.933702 Se\n0.947691 0.273012 0.933702 Se\n0.034038 0.208381 0.348364 Se\n0.174343 0.965962 0.348364 Se\n0.674679 0.726988 0.433702 Se\n0.825657 0.791619 0.848364 Se\n0.791619 0.825657 0.348364 Se\n0.659179 0.937316 0.146413 Se\n0.721863 0.062684 0.646413 Se\n0.575260 0.913610 0.867387 Br\n0.913610 0.575260 0.367387 Br\n0.090130 0.420925 0.716145 Br\n0.420925 0.090130 0.216145 Br\n0.355669 0.316129 0.499987 Br\n0.352354 0.965933 0.583259 Br\n0.909870 0.330795 0.216145 Br\n0.330795 0.909870 0.716145 Br\n0.086390 0.661649 0.867387 Br\n0.000000 0.000000 0.759212 Br\n0.666667 0.333333 0.821453 Br\n0.613578 0.647646 0.583259 Br\n0.333333 0.666667 0.321453 Br\n0.000000 0.000000 0.259212 Br\n0.669205 0.579075 0.216145 Br\n0.316129 0.355669 0.999987 Br\n0.039540 0.683871 0.999987 Br\n0.579075 0.669205 0.716145 Br\n0.644331 0.960460 0.999987 Br\n0.647646 0.613578 0.083259 Br\n0.960460 0.644331 0.499987 Br\n0.386422 0.034067 0.083259 Br\n0.034067 0.386422 0.583259 Br\n0.965933 0.352354 0.083259 Br\n0.661649 0.086390 0.367387 Br\n0.338351 0.424740 0.867387 Br\n0.424740 0.338351 0.367387 Br\n0.683871 0.039540 0.499987 Br\n",
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{
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"structure_string": "Sb2 H2 O4 F12\n1.0\n5.174113 0.000000 0.000000\n-0.250740 7.297228 0.000000\n-1.022611 -0.168607 8.068664\nSb H O F\n2 2 4 12\ndirect\n0.539612 0.734475 0.772871 Sb\n0.460388 0.265525 0.227129 Sb\n0.150914 0.916447 0.146517 H\n0.849086 0.083553 0.853483 H\n0.010312 0.745511 0.225200 O\n0.081971 0.738203 0.374783 O\n0.918029 0.261797 0.625217 O\n0.989688 0.254489 0.774800 O\n0.150377 0.384504 0.148810 F\n0.282966 0.912117 0.722776 F\n0.224742 0.027956 0.101096 F\n0.349734 0.526687 0.675463 F\n0.309441 0.194648 0.418001 F\n0.436881 0.716952 0.988341 F\n0.563119 0.283048 0.011659 F\n0.690559 0.805352 0.581999 F\n0.650266 0.473313 0.324537 F\n0.775258 0.972044 0.898904 F\n0.717034 0.087883 0.277224 F\n0.849623 0.615496 0.851190 F\n",
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{
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"structure_string": "Ba6 La4 C10 O30 F4\n1.0\n2.581759 10.854595 0.000000\n-2.581759 10.854595 0.000000\n0.000000 1.124444 13.409738\nBa La C O F\n6 4 10 30 4\ndirect\n0.686291 0.686291 0.904646 Ba\n0.000000 0.000000 0.000000 Ba\n0.313709 0.313709 0.095354 Ba\n0.192447 0.192447 0.399987 Ba\n0.807553 0.807553 0.600013 Ba\n0.500000 0.500000 0.500000 Ba\n0.105607 0.105607 0.711849 La\n0.894393 0.894393 0.288151 La\n0.600036 0.600036 0.185063 La\n0.399964 0.399964 0.814937 La\n0.541480 0.541480 0.800106 C\n0.048175 0.048175 0.353774 C\n0.246379 0.246379 0.724831 C\n0.650338 0.650338 0.539918 C\n0.951825 0.951825 0.646226 C\n0.458520 0.458520 0.199894 C\n0.349662 0.349662 0.460082 C\n0.160914 0.160914 0.097082 C\n0.839086 0.839086 0.902918 C\n0.753621 0.753621 0.275169 C\n0.568079 0.000617 0.275155 O\n0.294420 0.294420 0.503429 O\n0.431921 0.999383 0.724845 O\n0.990288 0.990288 0.386013 O\n0.897214 0.897214 0.868677 O\n0.269618 0.705244 0.186133 O\n0.400583 0.400583 0.233545 O\n0.295822 0.859662 0.341107 O\n0.705244 0.269618 0.186133 O\n0.859662 0.295822 0.341107 O\n0.403680 0.839084 0.558918 O\n0.999383 0.431921 0.724845 O\n0.704178 0.140338 0.658893 O\n0.596320 0.160916 0.441082 O\n0.102786 0.102786 0.131323 O\n0.029588 0.591655 0.916844 O\n0.730382 0.294756 0.813867 O\n0.970412 0.408345 0.083156 O\n0.160916 0.596320 0.441082 O\n0.009712 0.009712 0.613987 O\n0.306059 0.306059 0.720179 O\n0.294756 0.730382 0.813867 O\n0.599417 0.599417 0.766455 O\n0.705580 0.705580 0.496571 O\n0.140338 0.704178 0.658893 O\n0.000617 0.568079 0.275155 O\n0.408345 0.970412 0.083156 O\n0.839084 0.403680 0.558918 O\n0.693941 0.693941 0.279821 O\n0.591655 0.029588 0.916844 O\n0.573626 0.573626 0.016643 F\n0.125336 0.125336 0.885433 F\n0.426374 0.426374 0.983357 F\n0.874664 0.874664 0.114567 F\n",
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{
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"structure_string": "Ba1 Ca1 Fe4 O8\n1.0\n2.760091 -4.780618 0.000000\n2.760091 4.780618 0.000000\n0.000000 0.000000 7.837170\nBa Ca Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.759492 Fe\n0.666667 0.333333 0.759492 Fe\n0.333333 0.666667 0.240508 Fe\n0.666667 0.333333 0.240508 Fe\n0.330566 0.330566 0.695664 O\n0.669434 0.000000 0.695664 O\n0.000000 0.669434 0.695664 O\n0.669434 0.669434 0.304336 O\n0.000000 0.330566 0.304336 O\n0.330566 0.000000 0.304336 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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{
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{
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}