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{
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{
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{
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"structure_string": "Na2 Li2 Cu1 I2 O2\n1.0\n-2.045706 2.045706 11.271686\n2.045706 -2.045706 11.271686\n2.045706 2.045706 -11.271686\nNa Li Cu I O\n2 2 1 2 2\ndirect\n0.945296 0.945296 0.000000 Na\n0.054704 0.054704 0.000000 Na\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Cu\n0.329170 0.329170 0.000000 I\n0.670830 0.670830 0.000000 I\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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{
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{
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"structure_string": "Rb4 H16 S4 N4 O16\n1.0\n6.229722 0.000000 0.000000\n0.000000 7.759875 0.000000\n0.000000 0.000000 10.858509\nRb H S N O\n4 16 4 4 16\ndirect\n0.750000 0.323261 0.104828 Rb\n0.250000 0.176739 0.604828 Rb\n0.750000 0.823261 0.395172 Rb\n0.250000 0.676739 0.895172 Rb\n0.750000 0.533618 0.791490 H\n0.116309 0.378386 0.328145 H\n0.250000 0.466382 0.208510 H\n0.250000 0.569994 0.348366 H\n0.616309 0.621614 0.671855 H\n0.616309 0.121614 0.828145 H\n0.883691 0.121614 0.828145 H\n0.116309 0.878386 0.171855 H\n0.750000 0.930006 0.848366 H\n0.383691 0.378386 0.328145 H\n0.750000 0.430006 0.651634 H\n0.250000 0.966382 0.291490 H\n0.883691 0.621614 0.671855 H\n0.383691 0.878386 0.171855 H\n0.750000 0.033618 0.708510 H\n0.250000 0.069994 0.151634 H\n0.250000 0.726316 0.568296 S\n0.750000 0.773684 0.068296 S\n0.250000 0.226316 0.931704 S\n0.750000 0.273684 0.431704 S\n0.250000 0.450963 0.302429 N\n0.750000 0.049037 0.802429 N\n0.750000 0.549037 0.697571 N\n0.250000 0.950963 0.197571 N\n0.750000 0.737370 0.931932 O\n0.553374 0.193690 0.375693 O\n0.250000 0.038515 0.908028 O\n0.553374 0.693690 0.124307 O\n0.946626 0.193690 0.375693 O\n0.053374 0.306310 0.875693 O\n0.250000 0.538515 0.591972 O\n0.946626 0.693690 0.124307 O\n0.750000 0.237370 0.568068 O\n0.750000 0.961485 0.091972 O\n0.446626 0.806310 0.624307 O\n0.250000 0.762630 0.431932 O\n0.750000 0.461485 0.408028 O\n0.053374 0.806310 0.624307 O\n0.250000 0.262630 0.068068 O\n0.446626 0.306310 0.875693 O\n",
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"formula_full": "Rb4 H16 S4 N4 O16",
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{
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"structure_string": "Rb7 Dy1 Fe6 P8 O34\n1.0\n9.407845 0.000000 0.000000\n-4.425027 8.978290 0.000000\n-0.729694 -0.749490 10.095627\nRb Dy Fe P O\n7 1 6 8 34\ndirect\n0.072943 0.209269 0.342362 Rb\n0.927057 0.790731 0.657638 Rb\n0.626498 0.973755 0.376533 Rb\n0.373502 0.026245 0.623467 Rb\n0.676924 0.439212 0.905945 Rb\n0.323076 0.560788 0.094055 Rb\n0.500000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Dy\n0.156161 0.107870 0.966428 Fe\n0.843839 0.892130 0.033572 Fe\n0.834783 0.094492 0.753577 Fe\n0.165217 0.905508 0.246423 Fe\n0.845117 0.423261 0.277100 Fe\n0.154883 0.576739 0.722900 Fe\n0.785499 0.333764 0.571804 P\n0.214501 0.666236 0.428196 P\n0.194036 0.266251 0.692233 P\n0.805964 0.733749 0.307767 P\n0.910123 0.230956 0.037913 P\n0.089877 0.769044 0.962087 P\n0.557673 0.755610 0.780737 P\n0.442327 0.244390 0.219263 P\n0.374958 0.219800 0.070753 O\n0.625042 0.780200 0.929247 O\n0.838266 0.312429 0.432898 O\n0.161734 0.687571 0.567102 O\n0.016575 0.156975 0.642181 O\n0.983425 0.843025 0.357819 O\n0.180715 0.915797 0.893121 O\n0.819285 0.084203 0.106879 O\n0.258766 0.196987 0.800633 O\n0.741234 0.803013 0.199367 O\n0.932440 0.006440 0.876572 O\n0.067560 0.993560 0.123428 O\n0.205756 0.415684 0.751748 O\n0.794244 0.584316 0.248252 O\n0.087064 0.267448 0.028806 O\n0.912936 0.732552 0.971194 O\n0.617894 0.271532 0.220410 O\n0.382106 0.728468 0.779590 O\n0.294881 0.294435 0.573098 O\n0.705119 0.705565 0.426902 O\n0.715641 0.176618 0.628241 O\n0.284359 0.823382 0.371759 O\n0.655318 0.388331 0.555821 O\n0.344682 0.611669 0.444179 O\n0.817610 0.219382 0.899525 O\n0.182390 0.780618 0.100475 O\n0.910070 0.365180 0.118699 O\n0.089930 0.634820 0.881301 O\n0.576175 0.626618 0.707879 O\n0.423825 0.373382 0.292121 O\n0.646982 0.902510 0.708311 O\n0.353018 0.097490 0.291689 O\n0.926368 0.446152 0.665505 O\n0.073632 0.553848 0.334495 O\n",
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{
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{
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{
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