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{
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{
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{
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"structure_string": "Cs16 Ge16\n1.0\n-11.568967 0.000000 0.000000\n0.000000 -11.568967 0.000000\n5.784483 5.784483 9.396721\nCs Ge\n16 16\ndirect\n0.250000 0.110103 0.000000 Cs\n0.750000 0.389897 0.000000 Cs\n0.250000 0.610103 0.000000 Cs\n0.750000 0.889897 0.000000 Cs\n0.746144 0.253855 0.250000 Cs\n0.503855 0.496145 0.250000 Cs\n0.003855 0.753855 0.250000 Cs\n0.246145 0.996145 0.250000 Cs\n0.110103 0.250000 0.500000 Cs\n0.610103 0.250000 0.500000 Cs\n0.389897 0.750000 0.500000 Cs\n0.889897 0.750000 0.500000 Cs\n0.753855 0.003855 0.750000 Cs\n0.996144 0.246145 0.750000 Cs\n0.496145 0.503855 0.750000 Cs\n0.253855 0.746145 0.750000 Cs\n0.018087 0.229371 0.151684 Ge\n0.133596 0.422313 0.151684 Ge\n0.633596 0.729371 0.151684 Ge\n0.518088 0.922313 0.151684 Ge\n0.270629 0.366403 0.348316 Ge\n0.077687 0.481912 0.348316 Ge\n0.577687 0.866404 0.348316 Ge\n0.770629 0.981912 0.348316 Ge\n0.229371 0.018087 0.651684 Ge\n0.422313 0.133597 0.651684 Ge\n0.922313 0.518087 0.651684 Ge\n0.729371 0.633596 0.651684 Ge\n0.481913 0.077687 0.848316 Ge\n0.366404 0.270629 0.848316 Ge\n0.866404 0.577687 0.848316 Ge\n0.981912 0.770629 0.848316 Ge\n",
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{
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"structure_string": "Cs4 Ga8 Cl28\n1.0\n12.325014 0.000000 0.000000\n0.000000 9.300293 0.000000\n0.000000 0.000000 10.971105\nCl Cs Ga\n28 4 8\ndirect\n0.971065 0.161433 0.029968 Cl\n0.471065 0.338567 0.029968 Cl\n0.803324 0.512251 0.083510 Cl\n0.303324 0.987749 0.083510 Cl\n0.700433 0.055671 0.127262 Cl\n0.200433 0.444329 0.127262 Cl\n0.483302 0.688949 0.166108 Cl\n0.983302 0.811051 0.166108 Cl\n0.755339 0.742283 0.342429 Cl\n0.255339 0.757717 0.342429 Cl\n0.478559 0.013897 0.348523 Cl\n0.978559 0.486103 0.348523 Cl\n0.170553 0.121747 0.366756 Cl\n0.670553 0.378253 0.366756 Cl\n0.528935 0.661433 0.529968 Cl\n0.028935 0.838567 0.529968 Cl\n0.696676 0.012251 0.583510 Cl\n0.196676 0.487749 0.583510 Cl\n0.799567 0.555671 0.627262 Cl\n0.299567 0.944329 0.627262 Cl\n0.016698 0.188949 0.666108 Cl\n0.516698 0.311051 0.666108 Cl\n0.744661 0.242283 0.842429 Cl\n0.244661 0.257717 0.842429 Cl\n0.021441 0.513897 0.848523 Cl\n0.521441 0.986103 0.848523 Cl\n0.329447 0.621747 0.866756 Cl\n0.829447 0.878253 0.866756 Cl\n0.887084 0.126566 0.362616 Cs\n0.387084 0.373434 0.362616 Cs\n0.612916 0.626566 0.862616 Cs\n0.112916 0.873434 0.862616 Cs\n0.889505 0.625774 0.226112 Ga\n0.389505 0.874226 0.226112 Ga\n0.685596 0.572067 0.478616 Ga\n0.185596 0.927933 0.478616 Ga\n0.610495 0.125774 0.726112 Ga\n0.110495 0.374226 0.726112 Ga\n0.814404 0.072067 0.978616 Ga\n0.314404 0.427933 0.978616 Ga\n",
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{
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"structure_string": "Ca22 Sb20\n1.0\n-12.029463 0.000000 0.000000\n0.000000 -12.029463 0.000000\n6.014732 6.014732 8.686519\nCa Sb\n22 20\ndirect\n0.164637 0.164637 0.000000 Ca\n0.835362 0.164637 0.000000 Ca\n0.164637 0.835362 0.000000 Ca\n0.835362 0.835362 0.000000 Ca\n0.603595 0.264486 0.207190 Ca\n0.264486 0.603595 0.207190 Ca\n0.942704 0.603595 0.207190 Ca\n0.603595 0.942704 0.207190 Ca\n0.664578 0.664578 0.329156 Ca\n0.440371 0.189006 0.378012 Ca\n0.937641 0.189006 0.378012 Ca\n0.189006 0.440371 0.378012 Ca\n0.189006 0.937641 0.378012 Ca\n0.810994 0.062359 0.621988 Ca\n0.810994 0.559629 0.621988 Ca\n0.062359 0.810994 0.621988 Ca\n0.559629 0.810994 0.621988 Ca\n0.335422 0.335422 0.670844 Ca\n0.396405 0.057296 0.792810 Ca\n0.057296 0.396405 0.792810 Ca\n0.735514 0.396405 0.792810 Ca\n0.396405 0.735514 0.792810 Ca\n0.348627 0.000000 0.000000 Sb\n0.651373 0.000000 0.000000 Sb\n0.000000 0.348627 0.000000 Sb\n0.373848 0.373848 0.000000 Sb\n0.626153 0.373848 0.000000 Sb\n0.373848 0.626153 0.000000 Sb\n0.626153 0.626153 0.000000 Sb\n0.000000 0.651373 0.000000 Sb\n0.127437 0.127437 0.254874 Sb\n0.469003 0.469003 0.350984 Sb\n0.881982 0.469003 0.350984 Sb\n0.469003 0.881982 0.350984 Sb\n0.881982 0.881982 0.350984 Sb\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n0.118019 0.118019 0.649016 Sb\n0.530997 0.118019 0.649016 Sb\n0.118019 0.530997 0.649016 Sb\n0.530997 0.530997 0.649016 Sb\n0.872563 0.872563 0.745126 Sb\n",
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{
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"structure_string": "Rb4 Hf2\n1.0\n0.000000 8.565221 8.565221\n8.565221 0.000000 8.565221\n8.565221 8.565221 0.000000\nHf Rb\n2 4\ndirect\n0.250000 0.250000 0.250000 Hf\n0.500000 0.500000 0.500000 Hf\n0.375000 0.375000 0.375000 Rb\n0.874999 0.375000 0.375000 Rb\n0.375000 0.874999 0.375000 Rb\n0.375000 0.375000 0.874999 Rb\n",
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{
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"structure_string": "Ba20 Ge4\n1.0\n8.815228 0.000000 0.000000\n0.000000 18.498466 0.000000\n0.000000 0.000000 7.702796\nBa Ge\n20 4\ndirect\n0.397634 0.250000 0.141380 Ba\n0.687279 0.063805 0.150558 Ba\n0.687279 0.436195 0.150558 Ba\n0.964786 0.643106 0.176223 Ba\n0.964786 0.856894 0.176223 Ba\n0.464787 0.643106 0.323777 Ba\n0.464787 0.856894 0.323777 Ba\n0.187279 0.063805 0.349442 Ba\n0.187279 0.436195 0.349442 Ba\n0.897633 0.250000 0.358620 Ba\n0.102367 0.750000 0.641380 Ba\n0.812721 0.563805 0.650559 Ba\n0.812721 0.936195 0.650559 Ba\n0.535214 0.143106 0.676223 Ba\n0.535214 0.356894 0.676223 Ba\n0.035213 0.143106 0.823778 Ba\n0.035213 0.356894 0.823778 Ba\n0.312720 0.563805 0.849442 Ba\n0.312720 0.936195 0.849442 Ba\n0.602367 0.750000 0.858621 Ba\n0.254276 0.750000 0.052136 Ge\n0.754275 0.750000 0.447865 Ge\n0.245725 0.250000 0.552136 Ge\n0.745724 0.250000 0.947865 Ge\n",
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{
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"structure_string": "K4 Mo12 H4 Cl28 O2\n1.0\n-9.232785 0.000000 0.034771\n4.048008 7.717988 8.793583\n-4.048008 7.717988 -8.793583\nCl H K Mo O\n28 4 4 12 2\ndirect\n0.660950 0.348269 0.019392 Cl\n0.153878 0.864052 0.096601 Cl\n0.773510 0.648146 0.101525 Cl\n0.653878 0.903398 0.135947 Cl\n0.922388 0.316370 0.156802 Cl\n0.314750 0.454362 0.171713 Cl\n0.033594 0.615569 0.238502 Cl\n0.578539 0.155789 0.320888 Cl\n0.626953 0.464019 0.322397 Cl\n0.273511 0.898475 0.351854 Cl\n0.842745 0.021573 0.355678 Cl\n0.533595 0.761498 0.384431 Cl\n0.188392 0.171726 0.456700 Cl\n0.871420 0.324241 0.468257 Cl\n0.126953 0.677603 0.535980 Cl\n0.814749 0.828286 0.545638 Cl\n0.466337 0.238273 0.620914 Cl\n0.731572 0.101825 0.651085 Cl\n0.160950 0.980608 0.651731 Cl\n0.371420 0.531742 0.675758 Cl\n0.422388 0.843198 0.683629 Cl\n0.966339 0.379086 0.761726 Cl\n0.688392 0.543300 0.828275 Cl\n0.078539 0.679112 0.844212 Cl\n0.372235 0.098937 0.870012 Cl\n0.231572 0.348914 0.898175 Cl\n0.872234 0.129988 0.901064 Cl\n0.342745 0.644322 0.978427 Cl\n0.271970 0.254101 0.171708 H\n0.221067 0.163450 0.255941 H\n0.771970 0.828291 0.745899 H\n0.721067 0.744059 0.836551 H\n0.028837 0.045210 0.046658 K\n0.247990 0.444456 0.444924 K\n0.747989 0.555076 0.555545 K\n0.528838 0.953343 0.954790 K\n0.060868 0.654981 0.042604 Mo\n0.138708 0.480195 0.072389 Mo\n0.837833 0.481728 0.136635 Mo\n0.560868 0.957397 0.345019 Mo\n0.362727 0.072297 0.484889 Mo\n0.663205 0.137568 0.486501 Mo\n0.337832 0.863365 0.518272 Mo\n0.638708 0.927610 0.519805 Mo\n0.442464 0.043186 0.659953 Mo\n0.163204 0.513499 0.862432 Mo\n0.862727 0.515111 0.927704 Mo\n0.942463 0.340047 0.956815 Mo\n0.230067 0.170896 0.176547 O\n0.730067 0.823454 0.829105 O\n",
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{
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{
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