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{
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{
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},
{
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"structure_string": "Ca2 Mg4 Mn2 Fe4 P8 O52\n1.0\n6.914031 0.000000 0.000000\n0.000000 10.313359 0.000000\n0.000000 5.026936 13.748426\nCa Mg Mn Fe P O\n2 4 2 4 8 52\ndirect\n0.025116 0.000000 0.250000 Ca\n0.974884 0.000000 0.750000 Ca\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.507140 0.500000 0.250000 Mg\n0.492860 0.500000 0.750000 Mg\n0.525425 0.000000 0.250000 Mn\n0.474575 0.000000 0.750000 Mn\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.722822 0.186637 0.301201 P\n0.722822 0.813363 0.198799 P\n0.277178 0.813363 0.698799 P\n0.277178 0.186637 0.801201 P\n0.256715 0.800166 0.423232 P\n0.256715 0.199834 0.076768 P\n0.743285 0.199834 0.576768 P\n0.743285 0.800166 0.923232 P\n0.728119 0.139253 0.207453 O\n0.728119 0.860747 0.292547 O\n0.271881 0.860747 0.792547 O\n0.271881 0.139253 0.707453 O\n0.673796 0.335162 0.278838 O\n0.673796 0.664838 0.221162 O\n0.326204 0.664838 0.721162 O\n0.326204 0.335162 0.778838 O\n0.912971 0.137254 0.356159 O\n0.912971 0.862746 0.143841 O\n0.087029 0.862746 0.643841 O\n0.087029 0.137254 0.856159 O\n0.548622 0.081603 0.351133 O\n0.548622 0.918397 0.148867 O\n0.451378 0.918397 0.648867 O\n0.451378 0.081603 0.851133 O\n0.323234 0.870729 0.312799 O\n0.323234 0.129271 0.187201 O\n0.676766 0.129271 0.687201 O\n0.676766 0.870729 0.812799 O\n0.206978 0.650340 0.444651 O\n0.206978 0.349660 0.055349 O\n0.793022 0.349660 0.555349 O\n0.793022 0.650340 0.944651 O\n0.064338 0.880184 0.425851 O\n0.064338 0.119816 0.074149 O\n0.935662 0.119816 0.574149 O\n0.935662 0.880184 0.925851 O\n0.411741 0.824594 0.491223 O\n0.411741 0.175406 0.008777 O\n0.588259 0.175406 0.508777 O\n0.588259 0.824594 0.991223 O\n0.249374 0.068750 0.480165 O\n0.249374 0.931250 0.019835 O\n0.750626 0.931250 0.519835 O\n0.750626 0.068750 0.980165 O\n0.240294 0.379486 0.297807 O\n0.240294 0.620514 0.202193 O\n0.759706 0.620514 0.702193 O\n0.759706 0.379486 0.797807 O\n0.763656 0.363211 0.003597 O\n0.763656 0.636789 0.496403 O\n0.236344 0.636789 0.996403 O\n0.236344 0.363211 0.503597 O\n0.939586 0.452521 0.872001 O\n0.939586 0.547479 0.627999 O\n0.060414 0.547479 0.127999 O\n0.060414 0.452521 0.372001 O\n0.407410 0.541131 0.103998 O\n0.407410 0.458869 0.396002 O\n0.592590 0.458869 0.896002 O\n0.592590 0.541131 0.603998 O\n",
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{
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"formula_full": "K4 V4 Fe4 P8 H20 O44",
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},
{
"id": "mp-43114",
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"structure_string": "Ca6 Ti2 Al4 Si6 O26 F4\n1.0\n5.422948 0.000000 0.000000\n1.790454 6.847985 0.000000\n0.720651 1.411526 14.734466\nCa Ti Al Si O F\n6 2 4 6 26 4\ndirect\n0.613411 0.474160 0.774988 Ca\n0.281414 0.802640 0.446098 Ca\n0.940547 0.140933 0.112319 Ca\n0.718586 0.197360 0.553902 Ca\n0.386589 0.525840 0.225012 Ca\n0.059453 0.859067 0.887681 Ca\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.166477 0.331997 0.664294 Al\n0.166704 0.832679 0.665061 Al\n0.833523 0.668003 0.335706 Al\n0.833296 0.167321 0.334939 Al\n0.588216 0.976879 0.766910 Si\n0.252057 0.312604 0.438668 Si\n0.922099 0.644944 0.110677 Si\n0.747943 0.687396 0.561332 Si\n0.411784 0.023121 0.233090 Si\n0.077901 0.355056 0.889323 Si\n0.456889 0.814870 0.586271 O\n0.503612 0.184613 0.699864 O\n0.121094 0.150788 0.256623 O\n0.283320 0.361394 0.543331 O\n0.377648 0.842923 0.764393 O\n0.170809 0.520437 0.371220 O\n0.957840 0.821207 0.565056 O\n0.046711 0.301879 0.785803 O\n0.796198 0.496055 0.914342 O\n0.953289 0.698121 0.214197 O\n0.042160 0.178793 0.434944 O\n0.853098 0.845590 0.039733 O\n0.829191 0.479563 0.628780 O\n0.622352 0.157077 0.235607 O\n0.716680 0.638606 0.456669 O\n0.596735 0.226928 0.021977 O\n0.878906 0.849212 0.743377 O\n0.619071 0.030804 0.871065 O\n0.712613 0.512393 0.107543 O\n0.496388 0.815387 0.300136 O\n0.287387 0.487607 0.892457 O\n0.380929 0.969196 0.128935 O\n0.543111 0.185130 0.413729 O\n0.403265 0.773072 0.978023 O\n0.146902 0.154410 0.960267 O\n0.203802 0.503945 0.085658 O\n0.255328 0.559650 0.687710 F\n0.921803 0.894954 0.359244 F\n0.078197 0.105046 0.640756 F\n0.744672 0.440350 0.312290 F\n",
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{
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"structure_string": "Ba2 Zn2 Cr7 Ga2 Sn2 O22\n1.0\n2.984635 -5.169539 0.000000\n2.984635 5.169539 0.000000\n0.000000 0.000000 14.489932\nBa Zn Cr Ga Sn O\n2 2 7 2 2 22\ndirect\n0.333333 0.666667 0.574976 Ba\n0.666667 0.333333 0.425024 Ba\n0.333333 0.666667 0.044458 Zn\n0.666667 0.333333 0.955542 Zn\n0.831480 0.168520 0.170056 Cr\n0.168520 0.831480 0.829944 Cr\n0.831480 0.662960 0.170056 Cr\n0.168520 0.337040 0.829944 Cr\n0.337040 0.168520 0.170056 Cr\n0.662960 0.831480 0.829944 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.372968 Ga\n0.000000 0.000000 0.627032 Ga\n0.333333 0.666667 0.318207 Sn\n0.666667 0.333333 0.681793 Sn\n0.173082 0.826918 0.407620 O\n0.826918 0.173082 0.592380 O\n0.173082 0.346163 0.407620 O\n0.826918 0.653837 0.592380 O\n0.653837 0.826918 0.407620 O\n0.346163 0.173082 0.592380 O\n0.507016 0.492984 0.242578 O\n0.492984 0.507016 0.757422 O\n0.507016 0.014031 0.242578 O\n0.492984 0.985969 0.757422 O\n0.985969 0.492984 0.242578 O\n0.014031 0.507016 0.757422 O\n0.150288 0.849712 0.088245 O\n0.849712 0.150288 0.911755 O\n0.150288 0.300577 0.088245 O\n0.849712 0.699423 0.911755 O\n0.699423 0.849712 0.088245 O\n0.300577 0.150288 0.911755 O\n0.333333 0.666667 0.904078 O\n0.666667 0.333333 0.095922 O\n0.000000 0.000000 0.240690 O\n0.000000 0.000000 0.759310 O\n",
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}