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{
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{
"id": "mp-606304",
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"structure_string": "Mg2 H32 C8 S8 N4 O32 F24\n1.0\n16.269857 0.000000 0.000000\n0.000000 7.435842 0.000000\n0.000000 5.504888 13.615613\nMg H C S N O F\n2 32 8 8 4 32 24\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.033290 0.991545 0.748861 H\n0.227494 0.490351 0.303491 H\n0.164098 0.496445 0.624867 H\n0.466710 0.991545 0.248861 H\n0.599390 0.891964 0.661090 H\n0.835902 0.503555 0.375133 H\n0.138393 0.904037 0.863399 H\n0.772506 0.509649 0.696509 H\n0.400610 0.108036 0.338910 H\n0.310854 0.408095 0.354499 H\n0.810854 0.591905 0.145501 H\n0.839091 0.768867 0.788935 H\n0.533290 0.008455 0.751139 H\n0.861607 0.095963 0.136601 H\n0.727494 0.509649 0.196509 H\n0.099390 0.108036 0.838910 H\n0.787404 0.941527 0.400484 H\n0.339091 0.231133 0.711065 H\n0.212596 0.058473 0.599516 H\n0.272506 0.490351 0.803491 H\n0.966710 0.008455 0.251139 H\n0.664098 0.503555 0.875133 H\n0.287404 0.058473 0.099516 H\n0.689146 0.591905 0.645501 H\n0.335902 0.496445 0.124867 H\n0.160909 0.231133 0.211065 H\n0.638393 0.095963 0.636601 H\n0.900610 0.891964 0.161090 H\n0.660909 0.768867 0.288935 H\n0.712596 0.941527 0.900484 H\n0.189146 0.408095 0.854499 H\n0.361607 0.904037 0.363399 H\n0.887790 0.460540 0.426207 C\n0.641491 0.863304 0.151352 C\n0.858509 0.863304 0.651352 C\n0.358509 0.136696 0.848648 C\n0.387790 0.539460 0.073793 C\n0.112210 0.539460 0.573793 C\n0.141491 0.136696 0.348648 C\n0.612210 0.460540 0.926207 C\n0.650219 0.280895 0.418540 S\n0.748032 0.995984 0.313837 S\n0.349781 0.719105 0.581460 S\n0.849781 0.280895 0.918540 S\n0.248032 0.004016 0.186163 S\n0.251968 0.004016 0.686163 S\n0.150219 0.719105 0.081460 S\n0.751968 0.995984 0.813837 S\n0.801613 0.780423 0.848301 N\n0.198387 0.219577 0.151699 N\n0.698387 0.780423 0.348301 N\n0.301613 0.219577 0.651699 N\n0.248277 0.382302 0.857620 O\n0.028919 0.391544 0.789143 O\n0.585659 0.028391 0.647981 O\n0.751723 0.617698 0.142380 O\n0.272370 0.730786 0.637720 O\n0.596729 0.446538 0.360419 O\n0.096729 0.553462 0.139581 O\n0.069883 0.311212 0.869062 O\n0.695509 0.661919 0.433777 O\n0.772370 0.269214 0.862280 O\n0.727630 0.269214 0.362280 O\n0.227630 0.730786 0.137720 O\n0.748277 0.617698 0.642380 O\n0.403271 0.553462 0.639581 O\n0.085659 0.971609 0.852019 O\n0.971081 0.608456 0.210857 O\n0.898114 0.088724 0.933973 O\n0.304491 0.338081 0.566223 O\n0.601886 0.088724 0.433973 O\n0.251723 0.382302 0.357620 O\n0.398114 0.911276 0.566027 O\n0.430117 0.311212 0.369062 O\n0.804491 0.661919 0.933777 O\n0.471081 0.391544 0.289143 O\n0.101886 0.911276 0.066027 O\n0.914341 0.028391 0.147981 O\n0.903271 0.446538 0.860419 O\n0.569883 0.688788 0.630938 O\n0.930117 0.688788 0.130938 O\n0.528919 0.608456 0.710857 O\n0.414341 0.971609 0.352019 O\n0.195509 0.338081 0.066223 O\n0.555575 0.604539 0.904697 F\n0.993619 0.004168 0.698163 F\n0.575947 0.299900 0.921395 F\n0.137963 0.579950 0.480468 F\n0.679369 0.029235 0.099941 F\n0.075947 0.700100 0.578605 F\n0.320631 0.970765 0.900059 F\n0.493619 0.995832 0.801837 F\n0.637963 0.420050 0.019532 F\n0.444425 0.395461 0.095303 F\n0.006381 0.995832 0.301837 F\n0.055575 0.395461 0.595303 F\n0.900945 0.817533 0.587608 F\n0.099055 0.182467 0.412392 F\n0.424053 0.700100 0.078605 F\n0.179369 0.970765 0.400059 F\n0.820631 0.029235 0.599941 F\n0.506381 0.004168 0.198163 F\n0.944425 0.604539 0.404697 F\n0.362037 0.579950 0.980468 F\n0.400945 0.182467 0.912392 F\n0.862037 0.420050 0.519532 F\n0.599055 0.817533 0.087608 F\n0.924053 0.299900 0.421395 F\n",
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"formula_full": "Mg2 H32 C8 S8 N4 O32 F24",
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{
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{
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{
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"structure_string": "Na10 Sr1 Sn12\n1.0\n-5.678100 5.678100 5.678100\n5.678100 -5.678100 5.678100\n5.678100 5.678100 -5.678100\nNa Sr Sn\n10 1 12\ndirect\n0.250000 0.500000 0.750000 Na\n0.387952 0.387952 0.387952 Na\n0.000000 0.612048 0.000000 Na\n0.612048 0.000000 0.000000 Na\n0.000000 0.000000 0.612048 Na\n0.750000 0.500000 0.250000 Na\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Na\n0.500000 0.250000 0.750000 Na\n0.500000 0.750000 0.250000 Na\n0.000000 0.000000 0.000000 Sr\n0.628094 0.628094 0.816613 Sn\n0.000000 0.188519 0.371906 Sn\n0.188519 0.000000 0.371906 Sn\n0.811481 0.183387 0.811481 Sn\n0.183387 0.811481 0.811481 Sn\n0.816613 0.628094 0.628094 Sn\n0.000000 0.371906 0.188519 Sn\n0.371906 0.000000 0.188519 Sn\n0.628094 0.816613 0.628094 Sn\n0.188519 0.371906 0.000000 Sn\n0.371906 0.188519 0.000000 Sn\n0.811481 0.811481 0.183387 Sn\n",
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{
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"structure_string": "Ce2 Ti2 Fe22 H1\n1.0\n2.365971 6.050582 0.000000\n-2.365971 6.050582 0.000000\n0.000000 0.078709 11.991771\nCe Ti Fe H\n2 2 22 1\ndirect\n0.996214 0.996214 0.003841 Ce\n0.496224 0.496224 0.503471 Ce\n0.684252 0.684252 0.315517 Ti\n0.183841 0.183841 0.816061 Ti\n0.612227 0.612227 0.110632 Fe\n0.112344 0.112344 0.610974 Fe\n0.888452 0.888452 0.387709 Fe\n0.389230 0.389230 0.887597 Fe\n0.113452 0.113452 0.386987 Fe\n0.612993 0.612993 0.887168 Fe\n0.385477 0.385477 0.114529 Fe\n0.884456 0.884456 0.615193 Fe\n0.248378 0.749525 0.250267 Fe\n0.748869 0.248907 0.749523 Fe\n0.749525 0.248378 0.250267 Fe\n0.248907 0.748869 0.749523 Fe\n0.500600 0.999952 0.001182 Fe\n0.000632 0.499807 0.501141 Fe\n0.999952 0.500600 0.001182 Fe\n0.499807 0.000632 0.501141 Fe\n0.321265 0.321265 0.321005 Fe\n0.821339 0.821339 0.821698 Fe\n0.178413 0.178413 0.178583 Fe\n0.678286 0.678286 0.679046 Fe\n0.822831 0.822831 0.177317 Fe\n0.322702 0.322702 0.677847 Fe\n0.499331 0.499331 0.000599 H\n",
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{
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