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"structure_string": "Na2 Fe1 Cu1 C6 N6\n1.0\n6.282781 0.000000 3.627365\n2.094261 5.923463 3.627365\n-0.000000 -0.000000 7.254730\nNa Fe Cu C N\n2 1 1 6 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750001 Na\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500001 Cu\n0.182574 0.817425 0.182575 C\n0.817426 0.182574 0.817426 C\n0.182574 0.817425 0.817426 C\n0.817426 0.817425 0.182576 C\n0.817426 0.182574 0.182575 C\n0.182574 0.182574 0.817426 C\n0.702847 0.702847 0.297154 N\n0.297152 0.702847 0.702848 N\n0.702847 0.297152 0.702848 N\n0.297152 0.702847 0.297153 N\n0.702847 0.297152 0.297153 N\n0.297152 0.297152 0.702848 N\n",
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"structure_string": "Sr1 Ni2 P2 H4 O10\n1.0\n-4.481253 -3.011150 -0.006255\n4.481253 -3.011150 0.006255\n-3.037094 0.000000 6.772364\nSr Ni P H O\n1 2 2 4 10\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.499998 Ni\n0.999999 0.500000 0.500000 Ni\n0.586399 0.413601 0.222549 P\n0.413601 0.586399 0.777451 P\n0.255280 0.744720 0.207464 H\n0.073840 0.926160 0.365868 H\n0.926160 0.073840 0.634132 H\n0.744720 0.255280 0.792535 H\n0.299338 0.700661 0.661728 O\n0.814736 0.185263 0.638991 O\n0.185263 0.814737 0.361009 O\n0.700661 0.299339 0.338272 O\n0.703526 0.296474 0.003303 O\n0.265680 0.307247 0.272658 O\n0.296474 0.703526 0.996697 O\n0.307248 0.265680 0.727342 O\n0.692752 0.734320 0.272658 O\n0.734321 0.692753 0.727342 O\n",
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{
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"structure_string": "K2 Na2 Pr2 Ta2 O10\n1.0\n5.792268 0.000000 0.000000\n0.000000 5.792268 0.000000\n-0.000000 0.000000 8.289053\nK Na Pr Ta O\n2 2 2 2 10\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.241299 Na\n0.000000 0.500000 0.758701 Na\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.500000 0.255320 Ta\n0.500000 0.000000 0.744680 Ta\n0.269905 0.230095 0.674048 O\n0.730095 0.769905 0.674048 O\n0.269905 0.769905 0.674048 O\n0.230095 0.730095 0.325951 O\n0.000000 0.500000 0.031184 O\n0.230095 0.269905 0.325951 O\n0.769905 0.269905 0.325951 O\n0.730095 0.230095 0.674048 O\n0.769905 0.730095 0.325951 O\n0.500000 0.000000 0.968816 O\n",
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"structure_string": "Ba1 Al1 Cu1 Ni1 O5\n1.0\n3.713012 0.000000 0.000000\n0.000000 3.713012 0.000000\n0.000000 -0.000000 7.458926\nBa Al Cu Ni O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.969816 Ba\n0.000000 0.000000 0.462622 Al\n0.500000 0.500000 0.249079 Cu\n0.500000 0.500000 0.687721 Ni\n0.000000 0.500000 0.628536 O\n0.500000 0.000000 0.628536 O\n0.000000 0.500000 0.304103 O\n0.500000 0.000000 0.304103 O\n0.500000 0.500000 0.953410 O\n",
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"structure_string": "Na1 Li1 Fe2 Si4 O12\n1.0\n4.753656 4.279410 -0.058260\n-4.753656 4.279410 0.058260\n-1.638799 0.000000 5.012880\nNa Li Fe Si O\n1 1 2 4 12\ndirect\n0.705976 0.705976 0.750000 Na\n0.257323 0.257323 0.250000 Li\n0.087663 0.087664 0.750000 Fe\n0.915484 0.915484 0.250000 Fe\n0.203632 0.610263 0.742833 Si\n0.390589 0.798864 0.240488 Si\n0.610263 0.203632 0.757167 Si\n0.798864 0.390589 0.259512 Si\n0.906848 0.630608 0.190797 O\n0.653805 0.369450 0.481530 O\n0.366619 0.105170 0.671518 O\n0.634454 0.348688 0.980990 O\n0.369450 0.653805 0.018470 O\n0.197292 0.975061 0.137918 O\n0.348687 0.634454 0.519010 O\n0.105169 0.366619 0.828482 O\n0.808968 0.033245 0.863688 O\n0.033245 0.808968 0.636312 O\n0.630608 0.906848 0.309203 O\n0.975061 0.197292 0.362082 O\n",
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"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.345557 0.000008 -0.000791\n-1.672772 2.897318 0.000778\n-0.008131 0.004188 33.624722\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.664906 0.331167 0.024869 Te\n0.665290 0.330733 0.137969 Te\n0.331749 0.664288 0.081351 Mo\n0.333150 0.665979 0.471504 Mo\n0.667038 0.334337 0.282762 W\n0.667993 0.335240 0.667281 W\n0.334914 0.668534 0.717060 Se\n0.666338 0.332961 0.421940 Se\n0.666667 0.332588 0.521073 Se\n0.334508 0.668776 0.617431 Se\n0.333809 0.667393 0.328122 S\n0.333654 0.668017 0.237388 S\n",
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"structure_string": "Li4 Mn3 Fe1 B4 O12\n1.0\n-5.162115 -0.027115 0.016678\n2.396326 5.417612 0.025328\n-0.072436 -2.289794 -8.751923\nLi Mn Fe B O\n4 3 1 4 12\ndirect\n0.259302 0.683536 0.188772 Li\n0.756615 0.681008 0.689730 Li\n0.243654 0.321835 0.312097 Li\n0.739445 0.314946 0.809333 Li\n0.790114 0.769377 0.376740 Mn\n0.285997 0.758793 0.872494 Mn\n0.713376 0.237468 0.125078 Mn\n0.212277 0.233234 0.626195 Fe\n0.720833 0.261068 0.463550 B\n0.222226 0.256674 0.959647 B\n0.777771 0.739998 0.038251 B\n0.279212 0.741847 0.538371 B\n0.947906 0.188234 0.443321 O\n0.557776 0.820822 0.062943 O\n0.058237 0.821768 0.565002 O\n0.368827 0.705550 0.394076 O\n0.894844 0.690636 0.158022 O\n0.397657 0.690278 0.656174 O\n0.132426 0.297894 0.103525 O\n0.867470 0.699542 0.894333 O\n0.606165 0.309469 0.342964 O\n0.104538 0.305095 0.838912 O\n0.620563 0.293558 0.605294 O\n0.442760 0.177358 0.935166 O\n",
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}