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{
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"structure_string": "Sr4 Ca2 S2 O12\n1.0\n5.508796 0.000000 0.000000\n0.000000 5.512455 0.000000\n-5.504803 0.000000 7.790205\nCa O S Sr\n2 12 2 4\ndirect\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.786784 0.712632 0.006490 O\n0.793988 0.280403 0.006734 O\n0.229167 0.500394 0.216161 O\n0.770833 0.000394 0.283839 O\n0.206012 0.780403 0.493266 O\n0.213216 0.212632 0.493510 O\n0.786784 0.787368 0.506490 O\n0.793988 0.219597 0.506734 O\n0.229167 0.999606 0.716161 O\n0.770833 0.499606 0.783839 O\n0.206012 0.719597 0.993266 O\n0.213216 0.287368 0.993510 O\n0.000000 0.500000 0.000000 S\n0.000000 0.000000 0.500000 S\n0.750042 0.498817 0.249756 Sr\n0.249958 0.998817 0.250244 Sr\n0.750042 0.001183 0.749756 Sr\n0.249958 0.501183 0.750244 Sr\n",
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{
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"created_at": "2022-09-04T16:03:17.512055Z",
"updated_at": "2022-09-04T16:03:17.512086Z",
"structure_string": "Zn2 Cr4 Se8\n1.0\n-3.741056 3.741056 5.286889\n3.741056 -3.741056 5.286889\n3.741056 3.741056 -5.286889\nCr Se Zn\n4 8 2\ndirect\n0.375000 0.625000 0.250000 Cr\n0.875000 0.625000 0.250000 Cr\n0.375000 0.125000 0.750000 Cr\n0.375000 0.625000 0.750000 Cr\n0.614407 0.385247 0.229159 Se\n0.614753 0.843912 0.229159 Se\n0.135247 0.406088 0.270841 Se\n0.135593 0.864753 0.270841 Se\n0.135247 0.864407 0.729159 Se\n0.593912 0.864753 0.729159 Se\n0.156088 0.385247 0.770841 Se\n0.614753 0.385593 0.770841 Se\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Zn\n",
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{
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"created_at": "2022-09-04T16:03:17.511149Z",
"updated_at": "2022-09-04T16:03:17.511181Z",
"structure_string": "Ba3 H12 Pd2\n1.0\n5.384061 0.000000 0.000000\n-2.692031 4.662734 0.000000\n0.000000 0.000000 8.799865\nBa H Pd\n3 12 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.366116 Ba\n0.333333 0.666667 0.633884 Ba\n0.038946 0.519473 0.120105 H\n0.480527 0.519473 0.120105 H\n0.480527 0.961054 0.120105 H\n0.181193 0.362386 0.341377 H\n0.181193 0.818807 0.341377 H\n0.637614 0.818807 0.341377 H\n0.362386 0.181193 0.658623 H\n0.818807 0.181193 0.658623 H\n0.818807 0.637614 0.658623 H\n0.519473 0.038946 0.879895 H\n0.519473 0.480527 0.879895 H\n0.961054 0.480527 0.879895 H\n0.333333 0.666667 0.232018 Pd\n0.666667 0.333333 0.767982 Pd\n",
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{
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"created_at": "2022-09-04T16:03:17.506874Z",
"updated_at": "2022-09-04T16:03:17.506907Z",
"structure_string": "Sm4 Fe2 Ir2 O12\n1.0\n5.357375 0.000000 0.000000\n0.000000 5.742980 0.000000\n-5.205442 0.000000 7.700173\nFe Ir O Sm\n2 2 12 4\ndirect\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.861467 0.307739 0.052581 O\n0.741672 0.796029 0.054951 O\n0.635538 0.464330 0.246983 O\n0.364462 0.964330 0.253017 O\n0.258328 0.296029 0.445049 O\n0.138533 0.807739 0.447419 O\n0.861467 0.192261 0.552581 O\n0.741672 0.703971 0.554951 O\n0.635538 0.035670 0.746983 O\n0.364462 0.535670 0.753017 O\n0.258328 0.203971 0.945049 O\n0.138533 0.692261 0.947419 O\n0.772652 0.072861 0.249776 Sm\n0.227348 0.572861 0.250224 Sm\n0.772652 0.427139 0.749776 Sm\n0.227348 0.927139 0.750224 Sm\n",
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{
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"created_at": "2022-09-04T16:03:17.506423Z",
"updated_at": "2022-09-04T16:03:17.506451Z",
"structure_string": "Ce2 Pr4 Mg2 O12\n1.0\n5.798857 0.000000 0.000000\n0.002041 5.990523 0.000000\n0.367148 0.001921 8.315434\nCe Mg O Pr\n2 2 12 4\ndirect\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.821398 0.712558 0.072680 O\n0.718977 0.188382 0.074826 O\n0.144735 0.067115 0.233082 O\n0.355279 0.567109 0.266910 O\n0.781048 0.688340 0.425203 O\n0.678609 0.212550 0.427377 O\n0.321391 0.787450 0.572623 O\n0.218952 0.311660 0.574797 O\n0.644721 0.432891 0.733090 O\n0.855265 0.932885 0.766918 O\n0.281023 0.811618 0.925174 O\n0.178602 0.287442 0.927320 O\n0.969684 0.442835 0.245903 Pr\n0.530267 0.942897 0.254059 Pr\n0.469733 0.057103 0.745941 Pr\n0.030316 0.557165 0.754097 Pr\n",
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{
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"created_at": "2022-09-04T16:03:17.497555Z",
"updated_at": "2022-09-04T16:03:17.497590Z",
"structure_string": "Sm4 Lu4 O12\n1.0\n5.914788 0.000000 0.000000\n0.000000 8.224003 0.000000\n0.000000 0.000000 5.655570\nLu O Sm\n4 12 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.500000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.500000 0.500000 0.500000 Lu\n0.060829 0.250000 0.132866 O\n0.308366 0.569771 0.188515 O\n0.308366 0.930229 0.188515 O\n0.808366 0.569771 0.311485 O\n0.808366 0.930229 0.311485 O\n0.560829 0.250000 0.367134 O\n0.439171 0.750000 0.632866 O\n0.191634 0.069771 0.688515 O\n0.191634 0.430229 0.688515 O\n0.691634 0.069771 0.811485 O\n0.691634 0.430229 0.811485 O\n0.939171 0.750000 0.867134 O\n0.556597 0.750000 0.017429 Sm\n0.056597 0.750000 0.482571 Sm\n0.943403 0.250000 0.517429 Sm\n0.443403 0.250000 0.982571 Sm\n",
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{
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"created_at": "2022-09-04T16:03:17.496827Z",
"updated_at": "2022-09-04T16:03:17.496851Z",
"structure_string": "Na1 Fe1 H6 O6 F1\n1.0\n2.858376 1.650284 4.230711\n-2.858376 1.650284 4.230711\n0.000000 -3.300568 4.230711\nF Fe H Na O\n1 1 6 1 6\ndirect\n0.547860 0.547860 0.547860 F\n0.004620 0.004620 0.004620 Fe\n0.475910 0.977169 0.009423 H\n0.802116 0.604906 0.321534 H\n0.977169 0.009423 0.475910 H\n0.321534 0.802116 0.604906 H\n0.604906 0.321534 0.802116 H\n0.009423 0.475910 0.977169 H\n0.368175 0.368175 0.368175 Na\n0.368306 0.836050 0.035052 O\n0.986507 0.619754 0.149731 O\n0.836050 0.035052 0.368306 O\n0.149731 0.986507 0.619754 O\n0.035052 0.368306 0.836050 O\n0.619754 0.149731 0.986507 O\n",
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{
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"created_at": "2022-09-04T16:03:17.495413Z",
"updated_at": "2022-09-04T16:03:17.495438Z",
"structure_string": "Gd4 Mg2 Ru2 O12\n1.0\n5.308795 0.000000 0.000000\n0.000000 5.686240 0.000000\n-5.244952 0.000000 7.640706\nGd Mg O Ru\n4 2 12 2\ndirect\n0.771667 0.073064 0.249534 Gd\n0.228333 0.573064 0.250466 Gd\n0.771667 0.426936 0.749534 Gd\n0.228333 0.926936 0.750466 Gd\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.746405 0.804709 0.055473 O\n0.870589 0.301072 0.057555 O\n0.360525 0.962738 0.247794 O\n0.639475 0.462738 0.252206 O\n0.129411 0.801072 0.442445 O\n0.253595 0.304709 0.444527 O\n0.746405 0.695291 0.555473 O\n0.870589 0.198928 0.557555 O\n0.360525 0.537262 0.747794 O\n0.639475 0.037262 0.752206 O\n0.129411 0.698928 0.942445 O\n0.253595 0.195291 0.944527 O\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n",
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{
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"updated_at": "2022-09-04T16:03:17.495260Z",
"structure_string": "Na4 Li2 Cr2 F12\n1.0\n5.146244 0.000000 0.000000\n0.000000 5.277430 0.000000\n-5.112749 0.000000 7.335102\nCr F Li Na\n2 12 2 4\ndirect\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.850200 0.303491 0.048655 F\n0.740496 0.799004 0.049384 F\n0.652763 0.474448 0.248826 F\n0.347237 0.974448 0.251174 F\n0.259504 0.299004 0.450616 F\n0.149800 0.803491 0.451345 F\n0.850200 0.196509 0.548655 F\n0.740496 0.700996 0.549384 F\n0.652763 0.025552 0.748826 F\n0.347237 0.525552 0.751174 F\n0.259504 0.200996 0.950616 F\n0.149800 0.696509 0.951345 F\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.235105 0.558557 0.248868 Na\n0.764895 0.058557 0.251132 Na\n0.235105 0.941443 0.748868 Na\n0.764895 0.441443 0.751132 Na\n",
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{
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"updated_at": "2022-09-04T16:03:17.489219Z",
"structure_string": "K2 Ir2 Cl8\n1.0\n-3.638873 3.638873 6.606295\n3.638873 -3.638873 6.606295\n3.638873 3.638873 -6.606295\nCl Ir K\n8 2 2\ndirect\n0.481998 0.182977 0.112173 Cl\n0.932977 0.320804 0.200980 Cl\n0.817023 0.929196 0.299020 Cl\n0.268002 0.067023 0.387827 Cl\n0.679196 0.880175 0.612173 Cl\n0.630175 0.518002 0.700980 Cl\n0.119825 0.731998 0.799020 Cl\n0.070804 0.369825 0.887827 Cl\n0.000000 0.000000 0.000000 Ir\n0.750000 0.250000 0.500000 Ir\n0.500000 0.500000 0.000000 K\n0.250000 0.750000 0.500000 K\n",
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{
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"created_at": "2022-09-04T16:03:17.486488Z",
"updated_at": "2022-09-04T16:03:17.486514Z",
"structure_string": "Cs4 K1 Li1 Ru2 F12\n1.0\n3.073640 1.774567 10.104356\n-3.073640 1.774567 10.104356\n0.000000 -3.549134 10.104356\nCs F K Li Ru\n4 12 1 1 2\ndirect\n0.131204 0.131204 0.131204 Cs\n0.287361 0.287361 0.287361 Cs\n0.712639 0.712639 0.712639 Cs\n0.868796 0.868796 0.868796 Cs\n0.609911 0.609911 0.156984 F\n0.682335 0.228883 0.228883 F\n0.228883 0.682335 0.228883 F\n0.771117 0.771117 0.317665 F\n0.843016 0.390089 0.390089 F\n0.390089 0.843016 0.390089 F\n0.609911 0.156984 0.609911 F\n0.156984 0.609911 0.609911 F\n0.228883 0.228883 0.682335 F\n0.771117 0.317665 0.771117 F\n0.317665 0.771117 0.771117 F\n0.390089 0.390089 0.843016 F\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Li\n0.418261 0.418261 0.418261 Ru\n0.581739 0.581739 0.581739 Ru\n",
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]
}