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{
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{
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{
"id": "mp-697761",
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"structure_string": "Mn4 P4 O16\n1.0\n5.964852 0.000000 0.000000\n0.000000 5.294948 0.000000\n0.000000 5.219927 9.295454\nMn P O\n4 4 16\ndirect\n0.119892 0.808126 0.859478 Mn\n0.619892 0.191874 0.640522 Mn\n0.380108 0.808126 0.359478 Mn\n0.880108 0.191874 0.140522 Mn\n0.837256 0.377700 0.866519 P\n0.337256 0.622300 0.633481 P\n0.662744 0.377700 0.366519 P\n0.162744 0.622300 0.133481 P\n0.665005 0.232235 0.272374 O\n0.852905 0.714169 0.772787 O\n0.056776 0.289637 0.962285 O\n0.658122 0.269076 0.987731 O\n0.341878 0.730924 0.012269 O\n0.834995 0.232235 0.772374 O\n0.147095 0.285831 0.227213 O\n0.841878 0.269076 0.487731 O\n0.556776 0.710363 0.537715 O\n0.352905 0.285831 0.727213 O\n0.334995 0.767765 0.727626 O\n0.165005 0.767765 0.227626 O\n0.943224 0.710363 0.037715 O\n0.647095 0.714169 0.272787 O\n0.443224 0.289637 0.462285 O\n0.158122 0.730924 0.512269 O\n",
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{
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"structure_string": "Ba1 Mg14 Zn1 O16\n1.0\n8.731006 0.000000 0.000000\n0.000000 8.731006 -0.000000\n0.000000 0.000000 4.515873\nBa Mg Zn O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Ba\n-0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n-0.000000 0.247842 0.500000 Mg\n-0.000000 0.752158 0.500000 Mg\n0.500000 0.236241 0.500000 Mg\n0.500000 0.763759 0.500000 Mg\n0.247842 0.000000 0.500000 Mg\n0.236241 0.500000 0.500000 Mg\n0.752158 0.000000 0.500000 Mg\n0.763759 0.500000 0.500000 Mg\n0.241714 0.241714 0.000000 Mg\n0.241714 0.758286 -0.000000 Mg\n0.758286 0.241714 0.000000 Mg\n0.758286 0.758286 -0.000000 Mg\n-0.000000 0.000000 0.000000 Zn\n0.246330 0.000000 0.000000 O\n0.219368 0.500000 0.000000 O\n0.753670 0.000000 -0.000000 O\n0.780632 0.500000 -0.000000 O\n0.249952 0.249952 0.500000 O\n0.249952 0.750048 0.500000 O\n0.750048 0.249952 0.500000 O\n0.750048 0.750048 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.246330 -0.000000 O\n-0.000000 0.753670 0.000000 O\n0.500000 0.219368 0.000000 O\n0.500000 0.780632 -0.000000 O\n",
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{
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"structure_string": "Bi2 H36 C6 S6 O36 F18\n1.0\n7.036836 -12.188157 0.000000\n7.036836 12.188157 0.000000\n0.000000 0.000000 7.311791\nBi H C S O F\n2 36 6 6 36 18\ndirect\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n0.362454 0.869174 0.541224 H\n0.130826 0.493280 0.541224 H\n0.506720 0.637546 0.541224 H\n0.637546 0.130826 0.041224 H\n0.869174 0.506720 0.041224 H\n0.493280 0.362454 0.041224 H\n0.637546 0.130826 0.458776 H\n0.869174 0.506720 0.458776 H\n0.493280 0.362454 0.458776 H\n0.362454 0.869174 0.958776 H\n0.130826 0.493280 0.958776 H\n0.506720 0.637546 0.958776 H\n0.275946 0.767775 0.425833 H\n0.232225 0.508171 0.425833 H\n0.491829 0.724054 0.425833 H\n0.724054 0.232225 0.925833 H\n0.767775 0.491829 0.925833 H\n0.508171 0.275946 0.925833 H\n0.724054 0.232225 0.574167 H\n0.767775 0.491829 0.574167 H\n0.508171 0.275946 0.574167 H\n0.275946 0.767775 0.074167 H\n0.232225 0.508171 0.074167 H\n0.491829 0.724054 0.074167 H\n0.097918 0.644981 0.640995 H\n0.355019 0.452937 0.640995 H\n0.547063 0.902082 0.640995 H\n0.902082 0.355019 0.140995 H\n0.644981 0.547063 0.140995 H\n0.452937 0.097918 0.140995 H\n0.902082 0.355019 0.359005 H\n0.644981 0.547063 0.359005 H\n0.452937 0.097918 0.359005 H\n0.097918 0.644981 0.859005 H\n0.355019 0.452937 0.859005 H\n0.547063 0.902082 0.859005 H\n0.231835 0.008743 0.750000 C\n0.991257 0.223092 0.750000 C\n0.776908 0.768165 0.750000 C\n0.768165 0.991257 0.250000 C\n0.008743 0.776908 0.250000 C\n0.223092 0.231835 0.250000 C\n0.382357 0.059019 0.750000 S\n0.940981 0.323338 0.750000 S\n0.676662 0.617643 0.750000 S\n0.617643 0.940981 0.250000 S\n0.059019 0.676662 0.250000 S\n0.323338 0.382357 0.250000 S\n0.340694 0.793280 0.505982 O\n0.206720 0.547414 0.505982 O\n0.452586 0.659306 0.505982 O\n0.659306 0.206720 0.005982 O\n0.793280 0.452586 0.005982 O\n0.547414 0.340694 0.005982 O\n0.659306 0.206720 0.494018 O\n0.793280 0.452586 0.494018 O\n0.547414 0.340694 0.494018 O\n0.340694 0.793280 0.994018 O\n0.206720 0.547414 0.994018 O\n0.452586 0.659306 0.994018 O\n0.143250 0.656417 0.750000 O\n0.343583 0.486833 0.750000 O\n0.513167 0.856750 0.750000 O\n0.856750 0.343583 0.250000 O\n0.656417 0.513167 0.250000 O\n0.486833 0.143250 0.250000 O\n0.399435 0.013509 0.580972 O\n0.986491 0.385926 0.580972 O\n0.614074 0.600565 0.580972 O\n0.600565 0.986491 0.080972 O\n0.013509 0.614074 0.080972 O\n0.385926 0.399435 0.080972 O\n0.600565 0.986491 0.419028 O\n0.013509 0.614074 0.419028 O\n0.385926 0.399435 0.419028 O\n0.399435 0.013509 0.919028 O\n0.986491 0.385926 0.919028 O\n0.614074 0.600565 0.919028 O\n0.434167 0.178810 0.750000 O\n0.821190 0.255357 0.750000 O\n0.744643 0.565833 0.750000 O\n0.565833 0.821190 0.250000 O\n0.178810 0.744643 0.250000 O\n0.255357 0.434167 0.250000 O\n0.176069 0.897609 0.750000 F\n0.102391 0.278460 0.750000 F\n0.721540 0.823931 0.750000 F\n0.823931 0.102391 0.250000 F\n0.897609 0.721540 0.250000 F\n0.278460 0.176069 0.250000 F\n0.203845 0.044844 0.599579 F\n0.955156 0.159001 0.599579 F\n0.840999 0.796155 0.599579 F\n0.796155 0.955156 0.099579 F\n0.044844 0.840999 0.099579 F\n0.159001 0.203845 0.099579 F\n0.796155 0.955156 0.400421 F\n0.044844 0.840999 0.400421 F\n0.159001 0.203845 0.400421 F\n0.203845 0.044844 0.900421 F\n0.955156 0.159001 0.900421 F\n0.840999 0.796155 0.900421 F\n",
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{
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{
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"structure_string": "Na3 La8 Ti9 Mn3 O36\n1.0\n5.501180 0.000000 0.000000\n2.701107 4.828693 0.000000\n0.074236 0.030988 27.149236\nNa La Ti Mn O\n3 8 9 3 36\ndirect\n0.664491 0.668090 0.956717 Na\n0.332497 0.331550 0.790314 Na\n0.333779 0.339938 0.293904 Na\n0.995282 0.997790 0.873475 La\n0.672648 0.657097 0.459313 La\n0.667187 0.662120 0.708639 La\n0.334092 0.330207 0.546956 La\n0.996060 0.999396 0.123103 La\n0.009801 0.997978 0.372634 La\n0.662604 0.665309 0.213087 La\n0.333404 0.340844 0.036574 La\n0.003806 0.000828 0.997267 Ti\n0.662101 0.669012 0.831615 Ti\n0.341861 0.321143 0.667656 Ti\n0.331022 0.332907 0.913274 Ti\n0.000125 0.999439 0.503789 Ti\n0.999414 0.995361 0.747580 Ti\n0.676219 0.661767 0.333262 Ti\n0.672134 0.658062 0.588895 Ti\n0.324392 0.339904 0.167558 Ti\n0.336908 0.331620 0.417049 Mn\n0.000410 0.996309 0.250923 Mn\n0.659156 0.673400 0.081819 Mn\n0.156383 0.695573 0.947753 O\n0.566118 0.435036 0.874435 O\n0.039985 0.479620 0.865908 O\n0.641097 0.173436 0.966218 O\n0.816607 0.375607 0.781674 O\n0.120349 0.216118 0.957960 O\n0.233008 0.108787 0.710819 O\n0.519287 0.961706 0.882966 O\n0.692766 0.160341 0.702547 O\n0.297197 0.847873 0.801489 O\n0.482988 0.031950 0.617757 O\n0.784589 0.885169 0.792193 O\n0.884664 0.772112 0.538638 O\n0.178283 0.636780 0.716760 O\n0.363553 0.830007 0.532678 O\n0.966895 0.516098 0.633997 O\n0.128393 0.744416 0.449104 O\n0.460452 0.536817 0.624993 O\n0.584771 0.428392 0.380368 O\n0.830896 0.325421 0.546445 O\n0.051201 0.472741 0.367049 O\n0.608843 0.198652 0.471558 O\n0.829298 0.353542 0.282988 O\n0.105047 0.235465 0.459524 O\n0.217314 0.103721 0.204236 O\n0.543933 0.929548 0.385666 O\n0.684248 0.170327 0.194143 O\n0.321892 0.817877 0.303969 O\n0.439766 0.088012 0.112584 O\n0.776309 0.881376 0.290903 O\n0.903526 0.771370 0.044131 O\n0.167076 0.642785 0.215699 O\n0.373852 0.806947 0.031361 O\n0.928505 0.548531 0.136630 O\n0.425083 0.578124 0.124298 O\n0.866435 0.269652 0.050153 O\n",
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