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{
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{
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{
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"structure_string": "Pr2 Mg2 Fe4 O12\n1.0\n5.319516 0.000000 0.000000\n0.000000 5.483774 0.000000\n0.000000 0.000000 7.695798\nPr Mg Fe O\n2 2 4 12\ndirect\n0.010322 0.706733 0.000000 Pr\n0.510322 0.293267 0.500000 Pr\n0.476885 0.191267 0.000000 Mg\n0.976885 0.808733 0.500000 Mg\n0.999617 0.248087 0.751527 Fe\n0.999617 0.248087 0.248473 Fe\n0.499617 0.751913 0.251527 Fe\n0.499617 0.751913 0.748473 Fe\n0.081146 0.203269 0.500000 O\n0.222248 0.972963 0.805260 O\n0.222248 0.972963 0.194740 O\n0.308964 0.444292 0.191029 O\n0.308964 0.444292 0.808971 O\n0.369946 0.725014 0.500000 O\n0.581146 0.796731 0.000000 O\n0.722248 0.027037 0.694740 O\n0.722248 0.027037 0.305260 O\n0.808964 0.555708 0.691029 O\n0.808964 0.555708 0.308971 O\n0.869946 0.274986 0.000000 O\n",
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{
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"structure_string": "Na3 Sm1 Ti2 Nb2 O12\n1.0\n5.492532 0.000000 0.000000\n0.025491 5.587302 0.000000\n0.004611 0.015786 7.831505\nNa Sm Ti Nb O\n3 1 2 2 12\ndirect\n0.493349 0.520902 0.749294 Na\n0.003876 0.018233 0.749784 Na\n0.506072 0.472707 0.250175 Na\n0.993419 0.947588 0.249992 Sm\n0.496780 0.985240 0.005562 Ti\n0.003109 0.483024 0.495057 Ti\n0.496713 0.994437 0.511861 Nb\n0.004334 0.483162 0.987435 Nb\n0.209628 0.798989 0.975990 O\n0.284864 0.294850 0.533892 O\n0.795488 0.215982 0.453608 O\n0.721362 0.734069 0.048229 O\n0.790965 0.213528 0.046830 O\n0.725409 0.731056 0.452249 O\n0.207283 0.795286 0.524935 O\n0.290010 0.291171 0.964927 O\n0.566081 0.985381 0.753211 O\n0.923652 0.491089 0.747075 O\n0.417411 0.020147 0.246745 O\n0.070194 0.523158 0.253150 O\n",
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"formula_full": "Na3 Sm1 Ti2 Nb2 O12",
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{
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"structure_string": "Sr2 Bi3 Pd3\n1.0\n6.693956 0.000000 0.000000\n0.000000 6.693956 0.000000\n0.000000 0.000000 21.889495\nSr Bi Pd\n2 3 3\ndirect\n0.500000 0.500000 0.762754 Sr\n0.500000 0.500000 0.237246 Sr\n0.500000 0.500000 0.385566 Bi\n0.500000 0.500000 0.614434 Bi\n0.500000 0.500000 0.000000 Bi\n0.500000 0.500000 0.120809 Pd\n0.500000 0.500000 0.879191 Pd\n0.500000 0.500000 0.500000 Pd\n",
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{
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"structure_string": "K1 Na2 Mo1 F6\n1.0\n6.412847 0.000000 0.000000\n3.206424 5.553688 0.000000\n3.206424 1.851229 5.236067\nK Na Mo F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Mo\n0.227591 0.772409 0.227591 F\n0.772409 0.772409 0.227591 F\n0.772409 0.227591 0.772409 F\n0.772409 0.227591 0.227591 F\n0.227591 0.772409 0.772409 F\n0.227591 0.227591 0.772409 F\n",
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{
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{
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{
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{
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{
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"structure_string": "Mg4 Fe4 B4 O16\n1.0\n3.129581 0.000000 0.000000\n0.000000 9.351806 0.000000\n0.000000 0.000000 9.492046\nMg Fe B O\n4 4 4 16\ndirect\n0.250000 0.603408 0.189153 Mg\n0.750000 0.396592 0.810847 Mg\n0.750000 0.896592 0.689153 Mg\n0.250000 0.103408 0.310847 Mg\n0.250000 0.617908 0.570780 Fe\n0.750000 0.382092 0.429220 Fe\n0.750000 0.882092 0.070780 Fe\n0.250000 0.117908 0.929220 Fe\n0.250000 0.665203 0.874394 B\n0.750000 0.334797 0.125606 B\n0.750000 0.834797 0.374394 B\n0.250000 0.165203 0.625606 B\n0.250000 0.738036 0.005606 O\n0.750000 0.261964 0.994394 O\n0.750000 0.761964 0.505606 O\n0.250000 0.238036 0.494394 O\n0.250000 0.745981 0.749257 O\n0.750000 0.254019 0.250743 O\n0.750000 0.754019 0.249257 O\n0.250000 0.245981 0.750743 O\n0.250000 0.009688 0.114205 O\n0.750000 0.990312 0.885795 O\n0.750000 0.490312 0.614205 O\n0.250000 0.509688 0.385795 O\n0.250000 0.521143 0.868018 O\n0.750000 0.478857 0.131982 O\n0.750000 0.978857 0.368018 O\n0.250000 0.021143 0.631982 O\n",
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{
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"structure_string": "La6 Mn1 Si2 S14\n1.0\n5.196521 -9.000639 0.000000\n5.196521 9.000639 0.000000\n0.000000 0.000000 5.780129\nLa Mn Si S\n6 1 2 14\ndirect\n0.901054 0.690132 0.250801 La\n0.309868 0.210921 0.250801 La\n0.789079 0.098946 0.250801 La\n0.432771 0.977237 0.751565 La\n0.022763 0.455533 0.751565 La\n0.544467 0.567229 0.751565 La\n0.666667 0.333333 0.488446 Mn\n0.000000 0.000000 0.835683 Si\n0.333333 0.666667 0.337265 Si\n0.000000 0.000000 0.471256 S\n0.333333 0.666667 0.972427 S\n0.826073 0.575515 0.729410 S\n0.424485 0.250557 0.729410 S\n0.749443 0.173927 0.729410 S\n0.505779 0.091670 0.250812 S\n0.908330 0.414109 0.250812 S\n0.585891 0.494221 0.250812 S\n0.782587 0.857221 0.976541 S\n0.142779 0.925366 0.976541 S\n0.074634 0.217413 0.976541 S\n0.550748 0.808868 0.477840 S\n0.191132 0.741880 0.477840 S\n0.258120 0.449252 0.477840 S\n",
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"density": 4.279445619305464,
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"volume": 540.6964978876545,
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"formula_full": "La6 Mn1 Si2 S14",
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}