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{
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{
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"formula_full": "Li12 Sm12 Te8 O48",
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{
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"structure_string": "Zn3 Cd1 Ga2 Ag2 S8\n1.0\n-0.001274 -0.004150 -6.475976\n0.012107 -6.771367 -0.004447\n-8.004443 0.014198 -0.001686\nZn Cd Ga Ag S\n3 1 2 2 8\ndirect\n0.002834 0.166028 0.750989 Zn\n0.501246 0.827636 0.250942 Zn\n0.502352 0.832740 0.749531 Zn\n0.000559 0.168473 0.248449 Cd\n0.501460 0.324836 0.504930 Ga\n0.002243 0.677694 0.995043 Ga\n0.007104 0.664630 0.502403 Ag\n0.502444 0.338748 0.997251 Ag\n0.856801 0.315903 0.515615 S\n0.360440 0.695321 0.999461 S\n0.401718 0.655194 0.500762 S\n0.897440 0.353839 0.984685 S\n0.395596 0.161604 0.266411 S\n0.368975 0.160072 0.733747 S\n0.865610 0.815302 0.233439 S\n0.870779 0.841981 0.766341 S\n",
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{
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"structure_string": "Na2 La2 Cu2 Te8\n1.0\n4.457234 0.000000 0.000000\n0.000000 4.457234 0.000000\n0.000000 0.000000 19.927078\nNa La Cu Te\n2 2 2 8\ndirect\n0.000000 0.500000 0.124282 Na\n0.500000 0.000000 0.875718 Na\n0.000000 0.500000 0.607516 La\n0.500000 0.000000 0.392484 La\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.263611 Te\n0.500000 0.500000 0.736389 Te\n0.000000 0.500000 0.921911 Te\n0.500000 0.000000 0.078089 Te\n0.000000 0.000000 0.736389 Te\n0.500000 0.500000 0.263611 Te\n0.000000 0.500000 0.438758 Te\n0.500000 0.000000 0.561242 Te\n",
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{
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"structure_string": "Pr8 Th4 S20\n1.0\n7.598007 0.000000 0.000000\n0.000000 8.284938 0.000000\n0.000000 0.000000 12.100709\nPr Th S\n8 4 20\ndirect\n0.521553 0.500023 0.322256 Pr\n0.978447 0.999977 0.822256 Pr\n0.478447 0.000023 0.677744 Pr\n0.021553 0.499977 0.177744 Pr\n0.478447 0.499977 0.677744 Pr\n0.021553 0.000023 0.177744 Pr\n0.521553 0.999977 0.322256 Pr\n0.978447 0.500023 0.822256 Pr\n0.074692 0.750000 0.490145 Th\n0.425308 0.750000 0.990145 Th\n0.925308 0.250000 0.509855 Th\n0.574692 0.250000 0.009855 Th\n0.836523 0.957451 0.598273 S\n0.663477 0.542549 0.098273 S\n0.163477 0.457451 0.401727 S\n0.336523 0.042549 0.901727 S\n0.163477 0.042549 0.401727 S\n0.336523 0.457451 0.901727 S\n0.836523 0.542549 0.598273 S\n0.663477 0.957451 0.098273 S\n0.827832 0.750000 0.312882 S\n0.672168 0.750000 0.812882 S\n0.172168 0.250000 0.687118 S\n0.327832 0.250000 0.187118 S\n0.458592 0.750000 0.498997 S\n0.041408 0.750000 0.998997 S\n0.541408 0.250000 0.501003 S\n0.958592 0.250000 0.001003 S\n0.198188 0.750000 0.716112 S\n0.301812 0.750000 0.216112 S\n0.801812 0.250000 0.283888 S\n0.698188 0.250000 0.783888 S\n",
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{
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"structure_string": "K4 Mn2 P4 Se12\n1.0\n12.888945 0.000000 0.000000\n0.000000 6.560809 0.000000\n0.000000 4.881516 7.538202\nK Mn P Se\n4 2 4 12\ndirect\n0.694013 0.185370 0.541029 K\n0.194013 0.814630 0.958971 K\n0.305987 0.814630 0.458971 K\n0.805987 0.185370 0.041029 K\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.033230 0.148191 0.366949 P\n0.533230 0.851809 0.133051 P\n0.966770 0.851809 0.633051 P\n0.466770 0.148191 0.866949 P\n0.171401 0.288063 0.429562 Se\n0.671401 0.711937 0.070438 Se\n0.828599 0.711937 0.570438 Se\n0.328599 0.288063 0.929562 Se\n0.915573 0.440345 0.246298 Se\n0.415573 0.559655 0.253702 Se\n0.084427 0.559655 0.753702 Se\n0.584427 0.440345 0.746298 Se\n0.056984 0.953418 0.232326 Se\n0.556984 0.046582 0.267674 Se\n0.943016 0.046582 0.767674 Se\n0.443016 0.953418 0.732326 Se\n",
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{
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{
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"structure_string": "Co4 Sb4 P8 O32\n1.0\n0.147221 6.278017 4.932697\n0.225181 -6.312892 4.976014\n9.903229 -0.049433 -4.567530\nCo Sb P O\n4 4 8 32\ndirect\n0.188785 0.432035 0.218046 Co\n0.310754 0.060657 0.784746 Co\n0.688251 0.939063 0.214388 Co\n0.811594 0.568624 0.782870 Co\n0.746256 0.489013 0.299909 Sb\n0.247296 0.998142 0.289189 Sb\n0.753006 0.002103 0.710817 Sb\n0.253387 0.510411 0.700024 Sb\n0.369438 0.122179 0.095252 P\n0.883044 0.632497 0.108396 P\n0.117019 0.367650 0.891981 P\n0.630166 0.877716 0.904324 P\n0.016308 0.243768 0.406143 P\n0.500668 0.773962 0.407981 P\n0.499836 0.226591 0.591914 P\n0.983560 0.755654 0.593973 P\n0.730748 0.972873 0.049576 O\n0.195423 0.448999 0.040584 O\n0.804357 0.550837 0.959793 O\n0.268565 0.027321 0.950026 O\n0.531702 0.282672 0.120952 O\n0.054053 0.798237 0.139054 O\n0.945801 0.201986 0.861110 O\n0.468326 0.716795 0.878601 O\n0.648992 0.900233 0.380782 O\n0.151822 0.396090 0.387087 O\n0.848317 0.603571 0.613386 O\n0.351059 0.100690 0.619029 O\n0.447905 0.196919 0.436486 O\n0.965174 0.722523 0.446317 O\n0.033886 0.276961 0.553682 O\n0.552782 0.803295 0.563345 O\n0.232651 0.172114 0.176054 O\n0.742214 0.683172 0.177559 O\n0.420068 0.982985 0.174278 O\n0.934814 0.494051 0.182493 O\n0.065472 0.506261 0.817932 O\n0.579246 0.016454 0.825050 O\n0.257730 0.316815 0.822743 O\n0.767670 0.828309 0.824076 O\n0.048206 0.052495 0.351219 O\n0.458735 0.574367 0.334456 O\n0.818896 0.211967 0.319638 O\n0.309032 0.810074 0.364418 O\n0.541997 0.426144 0.665445 O\n0.952486 0.947322 0.649341 O\n0.691181 0.190041 0.635649 O\n0.181320 0.787362 0.679887 O\n",
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{
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"structure_string": "Rb8 Cu12 H8 S12 O56\n1.0\n5.282620 0.000000 0.000000\n0.000000 16.333985 0.000000\n0.000000 0.000000 17.687901\nRb Cu H S O\n8 12 8 12 56\ndirect\n0.278488 0.384734 0.445039 Rb\n0.221512 0.884734 0.054961 Rb\n0.721512 0.615266 0.945039 Rb\n0.778488 0.115266 0.554961 Rb\n0.721512 0.615266 0.554961 Rb\n0.778488 0.115266 0.945039 Rb\n0.278488 0.384734 0.054961 Rb\n0.221512 0.884734 0.445039 Rb\n0.296481 0.287292 0.677527 Cu\n0.203519 0.787292 0.822473 Cu\n0.703519 0.712708 0.177527 Cu\n0.796481 0.212708 0.322473 Cu\n0.703519 0.712708 0.322473 Cu\n0.796481 0.212708 0.177527 Cu\n0.296481 0.287292 0.822473 Cu\n0.203519 0.787292 0.677527 Cu\n0.601739 0.957169 0.750000 Cu\n0.898261 0.457169 0.750000 Cu\n0.398261 0.042831 0.250000 Cu\n0.101739 0.542831 0.250000 Cu\n0.697130 0.133554 0.750000 H\n0.802870 0.633554 0.750000 H\n0.302870 0.866446 0.250000 H\n0.197130 0.366446 0.250000 H\n0.100019 0.737611 0.750000 H\n0.399981 0.237611 0.750000 H\n0.899981 0.262389 0.250000 H\n0.600019 0.762389 0.250000 H\n0.832378 0.369464 0.586963 S\n0.667622 0.869464 0.913037 S\n0.167622 0.630536 0.086963 S\n0.332378 0.130536 0.413037 S\n0.167622 0.630536 0.413037 S\n0.332378 0.130536 0.086963 S\n0.832378 0.369464 0.913037 S\n0.667622 0.869464 0.586963 S\n0.100344 0.117718 0.750000 S\n0.399656 0.617718 0.750000 S\n0.899656 0.882282 0.250000 S\n0.600344 0.382282 0.250000 S\n0.788009 0.401220 0.510064 O\n0.711991 0.901220 0.989936 O\n0.211991 0.598780 0.010064 O\n0.288009 0.098780 0.489936 O\n0.211991 0.598780 0.489936 O\n0.288009 0.098780 0.010064 O\n0.788009 0.401220 0.989936 O\n0.711991 0.901220 0.510064 O\n0.852275 0.442744 0.638709 O\n0.647725 0.942744 0.861291 O\n0.147725 0.557256 0.138709 O\n0.352275 0.057256 0.361291 O\n0.147725 0.557256 0.361291 O\n0.352275 0.057256 0.138709 O\n0.852275 0.442744 0.861291 O\n0.647725 0.942744 0.638709 O\n0.629108 0.310657 0.607753 O\n0.870892 0.810657 0.892247 O\n0.370892 0.689343 0.107753 O\n0.129108 0.189343 0.392247 O\n0.370892 0.689343 0.392247 O\n0.129108 0.189343 0.107753 O\n0.629108 0.310657 0.892247 O\n0.870892 0.810657 0.607753 O\n0.082786 0.324569 0.589628 O\n0.417214 0.824569 0.910372 O\n0.917214 0.675431 0.089628 O\n0.582786 0.175431 0.410372 O\n0.917214 0.675431 0.410372 O\n0.582786 0.175431 0.089628 O\n0.082786 0.324569 0.910372 O\n0.417214 0.824569 0.589628 O\n0.265234 0.047206 0.750000 O\n0.234766 0.547206 0.750000 O\n0.734766 0.952794 0.250000 O\n0.765234 0.452794 0.250000 O\n0.110614 0.165537 0.679565 O\n0.389386 0.665537 0.820435 O\n0.889386 0.834463 0.179565 O\n0.610614 0.334463 0.320435 O\n0.889386 0.834463 0.320435 O\n0.610614 0.334463 0.179565 O\n0.110614 0.165537 0.820435 O\n0.389386 0.665537 0.679565 O\n0.805051 0.084303 0.750000 O\n0.694949 0.584303 0.750000 O\n0.194949 0.915697 0.250000 O\n0.305051 0.415697 0.250000 O\n0.531620 0.352861 0.750000 O\n0.968380 0.852861 0.750000 O\n0.468380 0.647139 0.250000 O\n0.031620 0.147139 0.250000 O\n0.966415 0.932335 0.750000 O\n0.533585 0.432335 0.750000 O\n0.033585 0.067665 0.250000 O\n0.466415 0.567665 0.250000 O\n",
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}