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{
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"structure_string": "Na8 H16 Ru4 C20 N24 O12\n1.0\n6.329654 0.000000 0.000000\n0.000000 12.133511 0.000000\n0.000000 0.000000 15.887447\nNa H Ru C N O\n8 16 4 20 24 12\ndirect\n0.000000 0.500000 0.746451 Na\n0.500000 0.000000 0.753549 Na\n0.000000 0.500000 0.253549 Na\n0.500000 0.000000 0.246451 Na\n0.500000 0.500000 0.877189 Na\n0.000000 0.000000 0.622811 Na\n0.500000 0.500000 0.122811 Na\n0.000000 0.000000 0.377189 Na\n0.678944 0.300321 0.787033 H\n0.321056 0.699679 0.787033 H\n0.178944 0.199679 0.712967 H\n0.821056 0.800321 0.712967 H\n0.321056 0.699679 0.212967 H\n0.678944 0.300321 0.212967 H\n0.821056 0.800321 0.287033 H\n0.178944 0.199679 0.287033 H\n0.560951 0.382091 0.728120 H\n0.439049 0.617909 0.728120 H\n0.060951 0.117909 0.771880 H\n0.939049 0.882091 0.771880 H\n0.439049 0.617909 0.271880 H\n0.560951 0.382091 0.271880 H\n0.939049 0.882091 0.228120 H\n0.060951 0.117909 0.228120 H\n0.998230 0.219149 0.000000 Ru\n0.001770 0.780851 0.000000 Ru\n0.498230 0.280851 0.500000 Ru\n0.501770 0.719149 0.500000 Ru\n0.741557 0.320700 0.000000 C\n0.258443 0.679300 0.000000 C\n0.241557 0.179300 0.500000 C\n0.758443 0.820700 0.500000 C\n0.111185 0.323370 0.091202 C\n0.888815 0.676630 0.091202 C\n0.611185 0.176630 0.408798 C\n0.388815 0.823370 0.408798 C\n0.888815 0.676630 0.908798 C\n0.111185 0.323370 0.908798 C\n0.388815 0.823370 0.591202 C\n0.611185 0.176630 0.591202 C\n0.839461 0.133735 0.907790 C\n0.160539 0.866265 0.907790 C\n0.339461 0.366265 0.592210 C\n0.660539 0.633735 0.592210 C\n0.160539 0.866265 0.092210 C\n0.839461 0.133735 0.092210 C\n0.660539 0.633735 0.407790 C\n0.339461 0.366265 0.407790 C\n0.233350 0.137802 0.000000 N\n0.766650 0.862198 0.000000 N\n0.733350 0.362198 0.500000 N\n0.266650 0.637802 0.500000 N\n0.594067 0.379030 0.000000 N\n0.405933 0.620970 0.000000 N\n0.094067 0.120970 0.500000 N\n0.905933 0.879030 0.500000 N\n0.170165 0.383518 0.144088 N\n0.829835 0.616482 0.144088 N\n0.670165 0.116482 0.355912 N\n0.329835 0.883518 0.355912 N\n0.829835 0.616482 0.855912 N\n0.170165 0.383518 0.855912 N\n0.329835 0.883518 0.644088 N\n0.670165 0.116482 0.644088 N\n0.744332 0.090042 0.853675 N\n0.255668 0.909958 0.853675 N\n0.244331 0.409958 0.646325 N\n0.755668 0.590042 0.646325 N\n0.255668 0.909958 0.146325 N\n0.744332 0.090042 0.146325 N\n0.755668 0.590042 0.353675 N\n0.244331 0.409958 0.353675 N\n0.393538 0.092617 0.000000 O\n0.606462 0.907383 0.000000 O\n0.893538 0.407383 0.500000 O\n0.106462 0.592617 0.500000 O\n0.673730 0.377807 0.770265 O\n0.326270 0.622193 0.770265 O\n0.173730 0.122193 0.729735 O\n0.826270 0.877807 0.729735 O\n0.326270 0.622193 0.229735 O\n0.673730 0.377807 0.229735 O\n0.826270 0.877807 0.270265 O\n0.173730 0.122193 0.270265 O\n",
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"formula_full": "Na8 H16 Ru4 C20 N24 O12",
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{
"id": "mp-1201060",
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"structure_string": "Na4 Sr4 P4 H72 S4 O48\n1.0\n10.994829 0.000000 0.000000\n0.000000 10.994829 0.000000\n0.000000 0.000000 10.994829\nNa Sr P H S O\n4 4 4 72 4 48\ndirect\n0.434470 0.934470 0.565530 Na\n0.934470 0.565530 0.434470 Na\n0.565530 0.434470 0.934470 Na\n0.065530 0.065530 0.065530 Na\n0.188566 0.811434 0.311434 Sr\n0.688566 0.688566 0.688566 Sr\n0.311434 0.188566 0.811434 Sr\n0.811434 0.311434 0.188566 Sr\n0.691918 0.808082 0.191918 P\n0.808082 0.191918 0.691918 P\n0.308082 0.308082 0.308082 P\n0.191918 0.691918 0.808082 P\n0.268159 0.826154 0.022002 H\n0.977998 0.768159 0.673846 H\n0.326154 0.477998 0.731841 H\n0.768159 0.673846 0.977998 H\n0.477998 0.731841 0.326154 H\n0.826154 0.022002 0.268159 H\n0.731841 0.326154 0.477998 H\n0.022002 0.268159 0.826154 H\n0.673846 0.977998 0.768159 H\n0.231841 0.173846 0.522002 H\n0.522002 0.231841 0.173846 H\n0.173846 0.522002 0.231841 H\n0.389581 0.846232 0.099764 H\n0.900236 0.889581 0.653768 H\n0.346232 0.400236 0.610419 H\n0.889581 0.653768 0.900236 H\n0.400236 0.610419 0.346232 H\n0.846232 0.099764 0.389581 H\n0.610419 0.346232 0.400236 H\n0.099764 0.389581 0.846232 H\n0.653768 0.900236 0.889581 H\n0.110419 0.153768 0.599764 H\n0.599764 0.110419 0.153768 H\n0.153768 0.599764 0.110419 H\n0.400429 0.682853 0.670358 H\n0.329642 0.900429 0.817147 H\n0.182853 0.829642 0.599571 H\n0.900429 0.817147 0.329642 H\n0.829642 0.599571 0.182853 H\n0.682853 0.670358 0.400429 H\n0.599571 0.182853 0.829642 H\n0.670358 0.400429 0.682853 H\n0.817147 0.329642 0.900429 H\n0.099571 0.317147 0.170358 H\n0.170358 0.099571 0.317147 H\n0.317147 0.170358 0.099571 H\n0.435219 0.693753 0.528613 H\n0.471387 0.935219 0.806247 H\n0.193753 0.971387 0.564781 H\n0.935219 0.806247 0.471387 H\n0.971387 0.564781 0.193753 H\n0.693753 0.528613 0.435219 H\n0.564781 0.193753 0.971387 H\n0.528613 0.435219 0.693753 H\n0.806247 0.471387 0.935219 H\n0.064781 0.306247 0.028613 H\n0.028613 0.064781 0.306247 H\n0.306247 0.028613 0.064781 H\n0.043623 0.791966 0.041041 H\n0.958959 0.543623 0.708034 H\n0.291966 0.458959 0.956377 H\n0.543623 0.708034 0.958959 H\n0.458959 0.956377 0.291966 H\n0.791966 0.041041 0.043623 H\n0.956377 0.291966 0.458959 H\n0.041041 0.043623 0.791966 H\n0.708034 0.958959 0.543623 H\n0.456377 0.208034 0.541041 H\n0.541041 0.456377 0.208034 H\n0.208034 0.541041 0.456377 H\n0.945635 0.848330 0.131807 H\n0.868193 0.445635 0.651670 H\n0.348330 0.368193 0.054365 H\n0.445635 0.651670 0.868193 H\n0.368193 0.054365 0.348330 H\n0.848330 0.131807 0.945635 H\n0.054365 0.348330 0.368193 H\n0.131807 0.945635 0.848330 H\n0.651670 0.868193 0.445635 H\n0.554365 0.151670 0.631807 H\n0.631807 0.554365 0.151670 H\n0.151670 0.631807 0.554365 H\n0.583713 0.916287 0.083713 S\n0.916287 0.083713 0.583713 S\n0.416287 0.416287 0.416287 S\n0.083713 0.583713 0.916287 S\n0.300070 0.852715 0.103365 O\n0.896635 0.800070 0.647285 O\n0.352715 0.396635 0.699930 O\n0.800070 0.647285 0.896635 O\n0.396635 0.699930 0.352715 O\n0.852715 0.103365 0.300070 O\n0.699930 0.352715 0.396635 O\n0.103365 0.300070 0.852715 O\n0.647285 0.896635 0.800070 O\n0.199930 0.147285 0.603365 O\n0.603365 0.199930 0.147285 O\n0.147285 0.603365 0.199930 O\n0.462255 0.714917 0.611449 O\n0.388551 0.962255 0.785083 O\n0.214917 0.888551 0.537745 O\n0.962255 0.785083 0.388551 O\n0.888551 0.537745 0.214917 O\n0.714917 0.611449 0.462255 O\n0.537745 0.214917 0.888551 O\n0.611449 0.462255 0.714917 O\n0.785083 0.388551 0.962255 O\n0.037745 0.285083 0.111449 O\n0.111449 0.037745 0.285083 O\n0.285083 0.111449 0.037745 O\n0.033112 0.850287 0.107410 O\n0.892590 0.533112 0.649713 O\n0.350287 0.392590 0.966888 O\n0.533112 0.649713 0.892590 O\n0.392590 0.966888 0.350287 O\n0.850287 0.107410 0.033112 O\n0.966888 0.350287 0.392590 O\n0.107410 0.033112 0.850287 O\n0.649713 0.892590 0.533112 O\n0.466888 0.149713 0.607410 O\n0.607410 0.466888 0.149713 O\n0.149713 0.607410 0.466888 O\n0.215585 0.814017 0.875301 O\n0.124699 0.715585 0.685983 O\n0.314017 0.624699 0.784415 O\n0.715585 0.685983 0.124699 O\n0.624699 0.784415 0.314017 O\n0.814017 0.875301 0.215585 O\n0.784415 0.314017 0.624699 O\n0.875301 0.215585 0.814017 O\n0.685983 0.124699 0.715585 O\n0.284415 0.185983 0.375301 O\n0.375301 0.284415 0.185983 O\n0.185983 0.375301 0.284415 O\n",
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{
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"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.385826 0.489501 -0.425735\n-1.152985 7.121857 -2.381535\n1.328416 0.578979 9.933762\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.168911 0.749901 0.025860 Sr\n0.787526 0.211141 0.972886 Sr\n0.216869 0.822547 0.397182 Mg\n0.164490 0.383266 0.654882 Zn\n0.789226 0.556154 0.319007 Zn\n0.735827 0.896593 0.614003 Sn\n0.518986 0.361400 0.458154 Sn\n0.300247 0.406244 0.200739 P\n0.683658 0.586085 0.791462 P\n0.721369 0.956483 0.265056 P\n0.263549 0.029616 0.746709 P\n0.818213 0.558526 0.913326 O\n0.563098 0.468895 0.155405 O\n0.713618 0.793377 0.789532 O\n0.059686 0.161371 0.730852 O\n0.400479 0.544082 0.803200 O\n0.284106 0.872798 0.602545 O\n0.735271 0.118954 0.400510 O\n0.195704 0.965406 0.874388 O\n0.324986 0.232494 0.249455 O\n0.807477 0.999257 0.129914 O\n0.130190 0.393984 0.082149 O\n0.186160 0.554696 0.332461 O\n0.808032 0.463625 0.652308 O\n0.458518 0.867946 0.259453 O\n0.909740 0.811744 0.287838 O\n0.527873 0.122304 0.753224 O\n",
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{
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"structure_string": "Sr2 Y1 Cu2 Bi1 Pb1 O8\n1.0\n-1.887797 1.887797 15.572670\n1.887797 -1.887797 15.572670\n1.887797 1.887797 -15.572670\nSr Y Cu Bi Pb O\n2 1 2 1 1 8\ndirect\n0.616521 0.616521 0.000000 Sr\n0.388697 0.388697 0.000000 Sr\n0.501263 0.501263 0.000000 Y\n0.054801 0.054801 0.000000 Cu\n0.948873 0.948873 0.000000 Cu\n0.798722 0.798722 0.000000 Bi\n0.199787 0.199787 0.000000 Pb\n0.127841 0.127841 0.000000 O\n0.866548 0.866548 0.000000 O\n0.046177 0.546177 0.500000 O\n0.451226 0.951226 0.500000 O\n0.951226 0.451226 0.500000 O\n0.546177 0.046177 0.500000 O\n0.697561 0.697561 0.000000 O\n0.304580 0.304580 0.000000 O\n",
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{
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"structure_string": "Sr4 Ce1 Y3 Cu4 Ru2 O20\n1.0\n3.863094 0.000000 0.000000\n0.000000 3.863094 0.000000\n0.000000 0.000000 28.803370\nSr Ce Y Cu Ru O\n4 1 3 4 2 20\ndirect\n0.000000 0.000000 0.425652 Sr\n0.500000 0.500000 0.915907 Sr\n0.500000 0.500000 0.077866 Sr\n0.000000 0.000000 0.584521 Sr\n0.000000 0.000000 0.293152 Ce\n0.500000 0.500000 0.790163 Y\n0.500000 0.500000 0.204935 Y\n0.000000 0.000000 0.710081 Y\n0.500000 0.500000 0.356417 Cu\n0.000000 0.000000 0.853867 Cu\n0.000000 0.000000 0.144031 Cu\n0.500000 0.500000 0.646455 Cu\n0.000000 0.000000 0.999855 Ru\n0.500000 0.500000 0.500278 Ru\n0.000000 0.500000 0.347505 O\n0.500000 0.000000 0.851408 O\n0.500000 0.000000 0.347505 O\n0.000000 0.500000 0.851408 O\n0.500000 0.000000 0.151692 O\n0.000000 0.500000 0.648635 O\n0.000000 0.500000 0.151692 O\n0.500000 0.000000 0.648635 O\n0.500000 0.500000 0.430876 O\n0.000000 0.000000 0.932757 O\n0.000000 0.000000 0.068572 O\n0.500000 0.500000 0.567029 O\n0.000000 0.500000 0.250418 O\n0.500000 0.000000 0.750075 O\n0.500000 0.000000 0.250418 O\n0.000000 0.500000 0.750075 O\n0.500000 0.000000 0.001555 O\n0.000000 0.500000 0.497505 O\n0.500000 0.000000 0.497505 O\n0.000000 0.500000 0.001555 O\n",
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"formula_full": "Sr4 Ce1 Y3 Cu4 Ru2 O20",
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{
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