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{
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{
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{
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"structure_string": "Ti6 Pb10 F38\n1.0\n-7.385078 7.385078 3.926969\n7.385078 -7.385078 3.926969\n7.385078 7.385078 -3.926969\nTi Pb F\n6 10 38\ndirect\n0.610632 0.783365 0.500000 Ti\n0.283365 0.110632 0.500000 Ti\n0.783365 0.283365 0.172732 Ti\n0.110632 0.610632 0.827268 Ti\n0.749072 0.749072 0.000000 Ti\n0.249072 0.249072 0.000000 Ti\n0.128356 0.832768 0.166237 Pb\n0.666531 0.962118 0.833763 Pb\n0.832768 0.666531 0.704413 Pb\n0.628356 0.462118 0.295587 Pb\n0.962118 0.128356 0.295587 Pb\n0.166531 0.332768 0.704413 Pb\n0.332768 0.628356 0.166237 Pb\n0.462118 0.166531 0.833763 Pb\n0.284199 0.784199 0.500000 Pb\n0.784199 0.284199 0.500000 Pb\n0.604495 0.957132 0.500000 F\n0.457132 0.104495 0.500000 F\n0.957132 0.457132 0.352637 F\n0.104495 0.604495 0.647363 F\n0.843312 0.471467 0.754385 F\n0.717081 0.088926 0.245615 F\n0.471467 0.717081 0.628155 F\n0.343312 0.588926 0.371845 F\n0.088926 0.843312 0.371845 F\n0.217081 0.971467 0.628155 F\n0.971467 0.343312 0.754385 F\n0.588926 0.217081 0.245615 F\n0.140839 0.146267 0.500000 F\n0.646267 0.640839 0.500000 F\n0.146267 0.646267 0.005428 F\n0.640839 0.140839 0.994572 F\n0.015764 0.289859 0.500000 F\n0.789859 0.515764 0.500000 F\n0.289859 0.789859 0.274095 F\n0.515764 0.015764 0.725905 F\n0.999265 0.999265 0.000000 F\n0.499265 0.499265 0.000000 F\n0.813897 0.636952 0.935853 F\n0.701099 0.878045 0.064147 F\n0.636952 0.701099 0.823054 F\n0.313897 0.378045 0.176946 F\n0.878045 0.813897 0.176946 F\n0.201099 0.136952 0.823054 F\n0.136952 0.313897 0.935853 F\n0.378045 0.201099 0.064147 F\n0.845535 0.499518 0.145124 F\n0.354394 0.700411 0.854876 F\n0.499518 0.354394 0.653983 F\n0.345535 0.200411 0.346017 F\n0.700411 0.845535 0.346017 F\n0.854394 0.999518 0.653983 F\n0.999518 0.345535 0.145124 F\n0.200411 0.854394 0.854876 F\n",
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{
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"structure_string": "Sn4 As4 H48 C16 S4 O6\n1.0\n7.514546 0.000000 0.000000\n1.126081 12.356215 0.000000\n3.580584 4.164416 12.235981\nSn As H C S O\n4 4 48 16 4 6\ndirect\n0.279860 0.518409 0.244193 Sn\n0.720140 0.481591 0.755807 Sn\n0.549232 0.364153 0.077969 Sn\n0.450768 0.635847 0.922031 Sn\n0.466950 0.185995 0.354150 As\n0.533050 0.814005 0.645850 As\n0.059294 0.768286 0.238330 As\n0.940706 0.231714 0.761670 As\n0.046519 0.355292 0.263585 H\n0.953481 0.644708 0.736415 H\n0.971829 0.406273 0.379641 H\n0.028171 0.593727 0.620359 H\n0.926312 0.489990 0.251330 H\n0.073688 0.510010 0.748670 H\n0.459076 0.632550 0.326573 H\n0.540924 0.367450 0.673427 H\n0.381110 0.497841 0.426843 H\n0.618890 0.502159 0.573157 H\n0.586248 0.503724 0.318832 H\n0.413752 0.496276 0.681168 H\n0.235705 0.269075 0.082168 H\n0.764295 0.730925 0.917832 H\n0.423137 0.245811 0.975175 H\n0.576863 0.754189 0.024825 H\n0.407293 0.160937 0.115410 H\n0.592707 0.839063 0.884590 H\n0.871251 0.414148 0.106603 H\n0.128749 0.585852 0.893397 H\n0.871044 0.268634 0.108062 H\n0.128956 0.731366 0.891938 H\n0.912107 0.383923 0.979744 H\n0.087893 0.616077 0.020256 H\n0.163278 0.116475 0.352782 H\n0.836722 0.883525 0.647218 H\n0.234452 0.036520 0.475255 H\n0.765548 0.963480 0.524745 H\n0.133020 0.175543 0.463414 H\n0.866980 0.824457 0.536586 H\n0.436004 0.274128 0.503075 H\n0.563996 0.725872 0.496925 H\n0.542518 0.135733 0.533215 H\n0.457482 0.864267 0.466785 H\n0.677138 0.257765 0.436410 H\n0.322862 0.742235 0.563590 H\n0.239511 0.949720 0.122389 H\n0.760489 0.050280 0.877611 H\n0.091408 0.962269 0.248104 H\n0.908592 0.037731 0.751896 H\n0.306935 0.885974 0.249076 H\n0.693065 0.114026 0.750924 H\n0.794765 0.742950 0.165647 H\n0.205235 0.257050 0.834353 H\n0.771120 0.872542 0.200869 H\n0.228880 0.127458 0.799131 H\n0.929010 0.867225 0.074845 H\n0.070990 0.132775 0.925155 H\n0.023318 0.430659 0.290552 C\n0.976682 0.569341 0.709448 C\n0.449552 0.540828 0.340883 C\n0.550448 0.459172 0.659117 C\n0.381360 0.245052 0.060084 C\n0.618640 0.754948 0.939916 C\n0.838901 0.357579 0.066337 C\n0.161099 0.642421 0.933663 C\n0.219131 0.121938 0.418358 C\n0.780869 0.878062 0.581642 C\n0.540100 0.218729 0.469670 C\n0.459900 0.781271 0.530330 C\n0.191208 0.907542 0.210783 C\n0.808792 0.092458 0.789217 C\n0.866253 0.818384 0.160254 C\n0.133747 0.181616 0.839746 C\n0.653661 0.075582 0.287302 S\n0.346339 0.924418 0.712698 S\n0.959434 0.676410 0.404600 S\n0.040566 0.323590 0.595400 S\n0.442686 0.320862 0.256927 O\n0.557314 0.679138 0.743073 O\n0.213929 0.689000 0.165664 O\n0.786071 0.311000 0.834336 O\n0.423130 0.514850 0.092580 O\n0.576870 0.485150 0.907420 O\n",
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"formula_full": "Sn4 As4 H48 C16 S4 O6",
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{
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"structure_string": "Sr20 Sb8 As4\n1.0\n8.684586 0.000000 0.000000\n0.000000 9.920682 0.000000\n0.000000 0.000000 13.298078\nSr Sb As\n20 8 4\ndirect\n0.043718 0.750000 0.502111 Sr\n0.956282 0.250000 0.497889 Sr\n0.543718 0.250000 0.997889 Sr\n0.456282 0.750000 0.002111 Sr\n0.860131 0.750000 0.798290 Sr\n0.139869 0.250000 0.201710 Sr\n0.360131 0.250000 0.701710 Sr\n0.639869 0.750000 0.298290 Sr\n0.686341 0.536373 0.575534 Sr\n0.313659 0.463627 0.424466 Sr\n0.186341 0.463627 0.924466 Sr\n0.313659 0.036373 0.424466 Sr\n0.813659 0.536373 0.075534 Sr\n0.686341 0.963627 0.575534 Sr\n0.813659 0.963627 0.075534 Sr\n0.186341 0.036373 0.924466 Sr\n0.335208 0.750000 0.715110 Sr\n0.664792 0.250000 0.284890 Sr\n0.835208 0.250000 0.784890 Sr\n0.164792 0.750000 0.215110 Sr\n0.566058 0.509646 0.829148 Sb\n0.433942 0.490354 0.170852 Sb\n0.066058 0.490354 0.670852 Sb\n0.433942 0.009646 0.170852 Sb\n0.933942 0.509646 0.329148 Sb\n0.566058 0.990354 0.829148 Sb\n0.933942 0.990354 0.329148 Sb\n0.066058 0.009646 0.670852 Sb\n0.073517 0.750000 0.986206 As\n0.926483 0.250000 0.013794 As\n0.573517 0.250000 0.513794 As\n0.426483 0.750000 0.486206 As\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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