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{
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{
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"structure_string": "Pd14 Se8\n1.0\n5.435028 0.000000 0.000000\n0.000000 7.024266 0.000000\n0.000000 0.000000 10.321027\nPd Se\n14 8\ndirect\n0.349165 0.188875 0.583814 Pd\n0.349165 0.811125 0.416186 Pd\n0.650835 0.311125 0.083814 Pd\n0.650835 0.688875 0.916186 Pd\n0.003555 0.084185 0.774450 Pd\n0.003555 0.915815 0.225550 Pd\n0.996445 0.415815 0.274450 Pd\n0.996445 0.584185 0.725550 Pd\n0.338102 0.371961 0.868769 Pd\n0.338102 0.628039 0.131231 Pd\n0.661898 0.128039 0.368769 Pd\n0.661898 0.871961 0.631231 Pd\n0.675939 0.500000 0.500000 Pd\n0.324061 0.000000 0.000000 Pd\n0.682685 0.324137 0.720672 Se\n0.682685 0.675863 0.279328 Se\n0.317315 0.175863 0.220672 Se\n0.317315 0.824137 0.779328 Se\n0.170313 0.500000 0.500000 Se\n0.829687 0.000000 0.000000 Se\n0.999235 0.000000 0.500000 Se\n0.000765 0.500000 0.000000 Se\n",
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{
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{
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"structure_string": "Fe2 Se2 Cl14\n1.0\n6.611850 0.000000 0.000000\n0.912014 8.481526 0.000000\n2.507310 0.536727 10.038708\nFe Se Cl\n2 2 14\ndirect\n0.493798 0.125978 0.126293 Fe\n0.752232 0.566067 0.549261 Fe\n0.959603 0.505009 0.083715 Se\n0.183704 0.948171 0.542256 Se\n0.939364 0.046679 0.442392 Cl\n0.991691 0.934482 0.746175 Cl\n0.319690 0.165991 0.560782 Cl\n0.702857 0.365820 0.692181 Cl\n0.822871 0.190622 0.077798 Cl\n0.277583 0.332267 0.205376 Cl\n0.470941 0.928334 0.282710 Cl\n0.424637 0.039573 0.952387 Cl\n0.078162 0.722890 0.121999 Cl\n0.171323 0.466131 0.889331 Cl\n0.688522 0.614373 0.013360 Cl\n0.080385 0.629230 0.514699 Cl\n0.533029 0.768094 0.635741 Cl\n0.693209 0.500088 0.358841 Cl\n",
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{
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"structure_string": "Ca2 Mg2\n1.0\n1.781854 6.211893 0.000000\n-1.781854 6.211893 0.000000\n0.000000 1.905377 5.682789\nCa Mg\n2 2\ndirect\n0.896386 0.896386 0.817664 Ca\n0.103614 0.103614 0.182336 Ca\n0.648261 0.648261 0.654557 Mg\n0.351739 0.351739 0.345443 Mg\n",
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{
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"structure_string": "V6 O8 F4\n1.0\n-4.717782 -0.000040 0.000056\n0.000110 4.637757 -5.967290\n-0.000004 -4.739407 -3.061355\nV O F\n6 8 4\ndirect\n0.534688 0.676866 0.179773 V\n0.465318 0.989797 0.486886 V\n0.500027 0.333355 0.833283 V\n0.965324 0.676872 0.679750 V\n0.000016 0.333353 0.333376 V\n0.034690 0.989800 0.986867 V\n0.811968 0.442275 0.636657 O\n0.796891 0.775505 0.974433 O\n0.703083 0.775485 0.474367 O\n0.688022 0.442329 0.136667 O\n0.311969 0.224413 0.530023 O\n0.296847 0.891152 0.192238 O\n0.188021 0.224358 0.030012 O\n0.203130 0.891173 0.692302 O\n0.795864 0.091243 0.290489 F\n0.704137 0.091237 0.790462 F\n0.295801 0.575394 0.876195 F\n0.204203 0.575393 0.376219 F\n",
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{
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"structure_string": "Sb2 S4\n1.0\n-3.030715 3.030715 5.797597\n3.030715 -3.030715 5.797597\n3.030715 3.030715 -5.797597\nSb S\n2 4\ndirect\n0.750000 0.250000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.875000 0.899029 0.524029 S\n0.100971 0.625000 0.975971 S\n0.375000 0.350971 0.475971 S\n0.649029 0.125000 0.024029 S\n",
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{
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"structure_string": "Na20 Tl4 Sn12\n1.0\n13.783420 0.000000 0.000000\n0.000000 7.284450 0.000000\n0.000000 2.998157 11.111318\nNa Tl Sn\n20 4 12\ndirect\n0.892046 0.632532 0.025347 Na\n0.392046 0.367468 0.474653 Na\n0.107954 0.367468 0.974653 Na\n0.607954 0.632532 0.525347 Na\n0.813874 0.554036 0.370797 Na\n0.313874 0.445964 0.129203 Na\n0.186126 0.445964 0.629203 Na\n0.686126 0.554036 0.870797 Na\n0.053421 0.344718 0.336535 Na\n0.553421 0.655282 0.163465 Na\n0.946579 0.655282 0.663465 Na\n0.446579 0.344718 0.836535 Na\n0.812857 0.056893 0.465048 Na\n0.312857 0.943107 0.034952 Na\n0.187143 0.943107 0.534952 Na\n0.687143 0.056893 0.965048 Na\n0.588549 0.040014 0.654632 Na\n0.088549 0.959986 0.845368 Na\n0.411451 0.959986 0.345368 Na\n0.911451 0.040014 0.154632 Na\n0.522107 0.220690 0.111499 Tl\n0.022107 0.779310 0.388501 Tl\n0.477893 0.779310 0.888501 Tl\n0.977893 0.220690 0.611499 Tl\n0.735114 0.340471 0.168493 Sn\n0.235114 0.659529 0.331507 Sn\n0.264886 0.659529 0.831507 Sn\n0.764886 0.340471 0.668493 Sn\n0.593747 0.262407 0.369194 Sn\n0.093747 0.737593 0.130806 Sn\n0.406253 0.737593 0.630806 Sn\n0.906253 0.262407 0.869194 Sn\n0.171974 0.061995 0.222500 Sn\n0.671974 0.938005 0.277500 Sn\n0.828026 0.938005 0.777500 Sn\n0.328026 0.061995 0.722500 Sn\n",
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{
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"structure_string": "K2 V26 O40\n1.0\n7.641358 0.000000 0.000000\n0.365628 8.577296 0.000000\n3.309098 0.447753 12.467955\nK V O\n2 26 40\ndirect\n0.000689 0.800306 0.190852 K\n0.999311 0.199694 0.809148 K\n0.798845 0.861214 0.972403 V\n0.810629 0.829861 0.669318 V\n0.822659 0.603166 0.855095 V\n0.460786 0.915223 0.896899 V\n0.546155 0.689596 0.504867 V\n0.542529 0.878127 0.296924 V\n0.538760 0.491099 0.706308 V\n0.545507 0.282671 0.900550 V\n0.803851 0.260546 0.574398 V\n0.806311 0.468101 0.365915 V\n0.179219 0.797599 0.748145 V\n0.183416 0.995803 0.544930 V\n0.188551 0.571700 0.934316 V\n0.816584 0.004197 0.455070 V\n0.820781 0.202401 0.251855 V\n0.811449 0.428300 0.065684 V\n0.196149 0.739454 0.425602 V\n0.193689 0.531899 0.634085 V\n0.454493 0.717329 0.099450 V\n0.453845 0.310404 0.495133 V\n0.461240 0.508901 0.293692 V\n0.457471 0.121873 0.703076 V\n0.539214 0.084777 0.103101 V\n0.189371 0.170139 0.330682 V\n0.177341 0.396834 0.144905 V\n0.201155 0.138786 0.027597 V\n0.915566 0.839870 0.809809 O\n0.605406 0.734791 0.944513 O\n0.589139 0.941682 0.746081 O\n0.746498 0.399330 0.925324 O\n0.736700 0.805758 0.531598 O\n0.739198 0.611735 0.723134 O\n0.259272 0.790822 0.876813 O\n0.255793 0.006170 0.678048 O\n0.392581 0.863088 0.455482 O\n0.411479 0.462325 0.856598 O\n0.390112 0.664386 0.654969 O\n0.659365 0.274397 0.724338 O\n0.659739 0.865811 0.126747 O\n0.655470 0.657350 0.346547 O\n0.659920 0.057631 0.942410 O\n0.672575 0.459364 0.529700 O\n0.913525 0.446642 0.213846 O\n0.922105 0.647647 0.989360 O\n0.919456 0.054827 0.596404 O\n0.919614 0.250050 0.404595 O\n0.086475 0.553358 0.786154 O\n0.080544 0.945173 0.403596 O\n0.080386 0.749950 0.595405 O\n0.077895 0.352353 0.010640 O\n0.340080 0.942369 0.057590 O\n0.327425 0.540636 0.470300 O\n0.340635 0.725603 0.275662 O\n0.340261 0.134189 0.873253 O\n0.344530 0.342650 0.653453 O\n0.588521 0.537675 0.143402 O\n0.609888 0.335614 0.345031 O\n0.607419 0.136912 0.544518 O\n0.744207 0.993830 0.321952 O\n0.740728 0.209178 0.123187 O\n0.253502 0.600670 0.074676 O\n0.260802 0.388265 0.276866 O\n0.263300 0.194242 0.468402 O\n0.394594 0.265209 0.055487 O\n0.410861 0.058318 0.253919 O\n0.084434 0.160130 0.190191 O\n",
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