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{
"id": "mp-1211265",
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"structure_string": "Rb4 Dy4 S8 O48\n1.0\n-6.066900 0.000000 0.580472\n-0.154485 0.000000 -9.150624\n0.000000 -20.013020 0.000000\nRb Dy S O\n4 4 8 48\ndirect\n0.843145 0.864685 0.710728 Rb\n0.156855 0.135315 0.289272 Rb\n0.156855 0.635315 0.210728 Rb\n0.843145 0.364685 0.789272 Rb\n0.381342 0.721756 0.860462 Dy\n0.618658 0.278244 0.139538 Dy\n0.618658 0.778244 0.360462 Dy\n0.381342 0.221756 0.639538 Dy\n0.367779 0.590721 0.721532 S\n0.632221 0.409279 0.278468 S\n0.632221 0.909279 0.221532 S\n0.367779 0.090721 0.778468 S\n0.812801 0.747428 0.930056 S\n0.187199 0.252572 0.069944 S\n0.187199 0.752572 0.430056 S\n0.812801 0.247428 0.569944 S\n0.190548 0.995807 0.625908 O\n0.809452 0.004193 0.374092 O\n0.809452 0.504193 0.125908 O\n0.190548 0.495807 0.874092 O\n0.653839 0.613647 0.922209 O\n0.346161 0.386353 0.077791 O\n0.346161 0.886353 0.422209 O\n0.653839 0.113647 0.577791 O\n0.831075 0.878985 0.264370 O\n0.168925 0.121015 0.735630 O\n0.168925 0.621015 0.764370 O\n0.831075 0.378985 0.235630 O\n0.442480 0.992794 0.974854 O\n0.557520 0.007206 0.025146 O\n0.557520 0.507206 0.474854 O\n0.442480 0.492794 0.525146 O\n0.762663 0.725644 0.570770 O\n0.237337 0.274356 0.429230 O\n0.237337 0.774356 0.070770 O\n0.762663 0.225644 0.929230 O\n0.390337 0.691149 0.665646 O\n0.609663 0.308851 0.334354 O\n0.609663 0.808851 0.165646 O\n0.390337 0.191149 0.834354 O\n0.714851 0.859415 0.885456 O\n0.285149 0.140585 0.114544 O\n0.285149 0.640585 0.385456 O\n0.714851 0.359415 0.614544 O\n0.347760 0.933713 0.798742 O\n0.652240 0.066287 0.201258 O\n0.652240 0.566287 0.298742 O\n0.347760 0.433713 0.701258 O\n0.558292 0.616433 0.770736 O\n0.441708 0.383567 0.229264 O\n0.441708 0.883567 0.270736 O\n0.558292 0.116433 0.729264 O\n0.845209 0.793956 0.998332 O\n0.154791 0.206044 0.001668 O\n0.154791 0.706044 0.498332 O\n0.845209 0.293956 0.501668 O\n0.691014 0.798034 0.525156 O\n0.308986 0.201966 0.474844 O\n0.308986 0.701966 0.025156 O\n0.691014 0.298034 0.974844 O\n0.032763 0.717895 0.898445 O\n0.967237 0.282105 0.101555 O\n0.967237 0.782105 0.398445 O\n0.032763 0.217895 0.601555 O\n",
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"spacegroup": 14
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{
"id": "mp-774456",
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"structure_string": "In4 H44 S8 O52\n1.0\n10.897196 0.000000 0.000000\n0.000000 9.282178 0.000000\n0.000000 1.740826 10.387905\nIn H S O\n4 44 8 52\ndirect\n0.637321 0.406485 0.208805 In\n0.862679 0.906485 0.208805 In\n0.137321 0.093515 0.791195 In\n0.362679 0.593515 0.791195 In\n0.677238 0.104549 0.088492 H\n0.869752 0.435715 0.095071 H\n0.822762 0.604549 0.088492 H\n0.309571 0.407208 0.144492 H\n0.209973 0.037539 0.248999 H\n0.630248 0.935715 0.095071 H\n0.190429 0.907208 0.144492 H\n0.177271 0.418474 0.222868 H\n0.290027 0.537539 0.248999 H\n0.480287 0.177685 0.323634 H\n0.081698 0.156622 0.343057 H\n0.976543 0.425126 0.346396 H\n0.322729 0.918474 0.222868 H\n0.213968 0.175465 0.393106 H\n0.019713 0.677685 0.323634 H\n0.472512 0.303399 0.409473 H\n0.418302 0.656622 0.343057 H\n0.096502 0.452554 0.418313 H\n0.523457 0.925126 0.346396 H\n0.286032 0.675465 0.393106 H\n0.027488 0.803399 0.409473 H\n0.403498 0.952554 0.418313 H\n0.596502 0.047446 0.581687 H\n0.972512 0.196601 0.590527 H\n0.713968 0.324535 0.606894 H\n0.476543 0.074874 0.653604 H\n0.903498 0.547446 0.581687 H\n0.581698 0.343378 0.656943 H\n0.527488 0.696601 0.590527 H\n0.980287 0.322315 0.676366 H\n0.786032 0.824535 0.606894 H\n0.677271 0.081526 0.777132 H\n0.023457 0.574874 0.653604 H\n0.918302 0.843378 0.656943 H\n0.519713 0.822315 0.676366 H\n0.709973 0.462461 0.751001 H\n0.822729 0.581526 0.777132 H\n0.809571 0.092792 0.855508 H\n0.369752 0.064285 0.904929 H\n0.790027 0.962461 0.751001 H\n0.690429 0.592792 0.855508 H\n0.177238 0.395451 0.911508 H\n0.130248 0.564285 0.904929 H\n0.322762 0.895451 0.911508 H\n0.980793 0.208236 0.025642 S\n0.519207 0.708236 0.025642 S\n0.809026 0.146875 0.398394 S\n0.690974 0.646875 0.398394 S\n0.309026 0.353125 0.601606 S\n0.190974 0.853125 0.601606 S\n0.480793 0.291764 0.974358 S\n0.019207 0.791764 0.974358 S\n0.371175 0.300878 0.052758 O\n0.596825 0.282232 0.056852 O\n0.994533 0.071513 0.126244 O\n0.983650 0.337120 0.089566 O\n0.128825 0.800878 0.052758 O\n0.798030 0.500907 0.108853 O\n0.903175 0.782232 0.056852 O\n0.505467 0.571513 0.126244 O\n0.516350 0.837120 0.089566 O\n0.251546 0.470072 0.187194 O\n0.701970 0.000907 0.108853 O\n0.762326 0.221354 0.270311 O\n0.456614 0.995634 0.345623 O\n0.168838 0.150939 0.319101 O\n0.248454 0.970072 0.187194 O\n0.483512 0.287065 0.319279 O\n0.737674 0.721354 0.270311 O\n0.043386 0.495634 0.345623 O\n0.331162 0.650939 0.319101 O\n0.930930 0.209571 0.424507 O\n0.016488 0.787065 0.319279 O\n0.674050 0.487492 0.386898 O\n0.722147 0.157245 0.502685 O\n0.569070 0.709571 0.424507 O\n0.825950 0.987492 0.386898 O\n0.222147 0.342755 0.497315 O\n0.777853 0.657245 0.502685 O\n0.174050 0.012508 0.613102 O\n0.430930 0.290429 0.575493 O\n0.277853 0.842755 0.497315 O\n0.325950 0.512508 0.613102 O\n0.983512 0.212935 0.680721 O\n0.069070 0.790429 0.575493 O\n0.668838 0.349061 0.680899 O\n0.956614 0.504366 0.654377 O\n0.262326 0.278646 0.729689 O\n0.516488 0.712935 0.680721 O\n0.751546 0.029928 0.812806 O\n0.831162 0.849061 0.680899 O\n0.543386 0.004366 0.654377 O\n0.237674 0.778646 0.729689 O\n0.298030 0.999093 0.891147 O\n0.748454 0.529928 0.812806 O\n0.483650 0.162880 0.910434 O\n0.494533 0.428487 0.873756 O\n0.096825 0.217768 0.943148 O\n0.201970 0.499093 0.891147 O\n0.871175 0.199122 0.947242 O\n0.016350 0.662880 0.910434 O\n0.005467 0.928487 0.873756 O\n0.403175 0.717768 0.943148 O\n0.628825 0.699122 0.947242 O\n",
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{
"id": "mp-1094968",
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"structure_string": "Y3 Mg1\n1.0\n3.563405 0.000000 0.000000\n0.000000 5.627149 0.000000\n0.000000 0.000000 6.081947\nY Mg\n3 1\ndirect\n0.000000 0.000000 0.001657 Y\n0.500000 0.000000 0.496245 Y\n0.500000 0.500000 0.839045 Y\n0.000000 0.500000 0.329718 Mg\n",
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{
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"structure_string": "K4 Pd6 Se8\n1.0\n0.000000 5.609296 13.474988\n3.215515 0.000000 13.474988\n3.215515 5.609296 0.000000\nK Pd Se\n4 6 8\ndirect\n0.823368 0.823368 0.676632 K\n0.676632 0.676632 0.823368 K\n0.426632 0.426632 0.573368 K\n0.573368 0.573368 0.426632 K\n0.750929 0.750929 0.249071 Pd\n0.000929 0.000929 0.499071 Pd\n0.499071 0.499071 0.000929 Pd\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Pd\n0.249071 0.249071 0.750929 Pd\n0.777984 0.099344 0.889267 Se\n0.099344 0.777984 0.233406 Se\n0.889267 0.233406 0.777984 Se\n0.016594 0.360733 0.150656 Se\n0.472016 0.150656 0.360733 Se\n0.233406 0.889267 0.099344 Se\n0.360733 0.016594 0.472016 Se\n0.150656 0.472016 0.016594 Se\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": "In2 Cu2 Te2 Se2\n1.0\n-3.042341 3.057973 6.105212\n3.042341 -3.057973 6.105212\n3.042341 3.057973 -6.105212\nIn Cu Te Se\n2 2 2 2\ndirect\n0.383101 0.133101 0.250000 In\n0.116899 0.366899 0.750000 In\n0.884140 0.634140 0.250000 Cu\n0.615860 0.865860 0.750000 Cu\n0.535503 0.250000 0.785503 Te\n0.964497 0.750000 0.714497 Te\n0.250000 0.529840 0.279840 Se\n0.750000 0.970160 0.220160 Se\n",
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