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"structure_string": "Mn12 Ge4 Ir4\n1.0\n6.575578 -0.000000 0.000000\n0.000000 6.575578 0.000000\n-0.000000 -0.000000 6.575578\nMn Ge Ir\n12 4 4\ndirect\n0.121743 0.205650 0.452811 Mn\n0.378258 0.794351 0.952811 Mn\n0.878258 0.705650 0.047189 Mn\n0.705650 0.047189 0.878258 Mn\n0.547189 0.621743 0.294350 Mn\n0.047189 0.878258 0.705650 Mn\n0.621743 0.294350 0.547189 Mn\n0.952811 0.378258 0.794351 Mn\n0.294350 0.547189 0.621743 Mn\n0.205650 0.452811 0.121743 Mn\n0.452811 0.121743 0.205650 Mn\n0.794351 0.952811 0.378258 Mn\n0.941288 0.558713 0.441287 Ge\n0.558713 0.441287 0.941288 Ge\n0.441287 0.941288 0.558713 Ge\n0.058713 0.058713 0.058713 Ge\n0.809393 0.309393 0.190607 Ir\n0.309393 0.190607 0.809393 Ir\n0.190607 0.809393 0.309393 Ir\n0.690607 0.690607 0.690607 Ir\n",
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{
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"structure_string": "Bi8 O12\n1.0\n7.871271 0.000000 0.000000\n0.000000 7.871271 0.000000\n0.000000 -0.000000 5.617330\nBi O\n8 12\ndirect\n0.757687 0.478612 0.767936 Bi\n0.242312 0.521388 0.767936 Bi\n0.478612 0.242312 0.232064 Bi\n0.521388 0.757687 0.232064 Bi\n0.978612 0.257687 0.267936 Bi\n0.742312 0.978612 0.732064 Bi\n0.257687 0.021388 0.732064 Bi\n0.021388 0.742312 0.267936 Bi\n0.210892 0.187818 0.035512 O\n0.187818 0.789108 0.964488 O\n0.687818 0.710892 0.535512 O\n0.312182 0.289108 0.535512 O\n0.289108 0.687818 0.464488 O\n0.500000 0.000000 0.408096 O\n0.000000 0.500000 0.091904 O\n0.500000 0.000000 0.908096 O\n0.789108 0.812182 0.035512 O\n0.000000 0.500000 0.591904 O\n0.710892 0.312182 0.464488 O\n0.812182 0.210892 0.964488 O\n",
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{
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"structure_string": "S4 I8 N8\n1.0\n6.503482 -0.109371 0.051249\n2.963780 7.004213 2.135767\n-0.034549 0.149501 11.533528\nS I N\n4 8 8\ndirect\n0.759127 0.487393 0.375903 S\n0.240873 0.512606 0.624098 S\n0.756275 0.246232 0.115235 S\n0.243725 0.753767 0.884766 S\n0.724053 0.698595 0.688220 I\n0.275947 0.301405 0.311780 I\n0.633366 0.177141 0.794166 I\n0.149657 0.070633 0.620754 I\n0.876947 0.730926 0.054047 I\n0.366633 0.822859 0.205834 I\n0.123053 0.269074 0.945953 I\n0.850342 0.929366 0.379246 I\n0.006224 0.136814 0.106927 N\n-0.006224 0.863186 0.893074 N\n0.306312 0.388618 0.760320 N\n0.693687 0.611382 0.239680 N\n0.335430 0.834260 0.766431 N\n0.003201 0.350180 0.413378 N\n-0.003200 0.649819 0.586623 N\n0.664570 0.165740 0.233570 N\n",
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{
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"structure_string": "Er8 S12\n1.0\n0.000000 10.904230 0.011041\n3.885866 0.000000 0.000000\n0.000000 -3.606697 -10.577381\nEr S\n8 12\ndirect\n0.661004 0.250000 0.083343 Er\n0.338996 0.750001 0.916657 Er\n0.544104 0.250000 0.690790 Er\n0.455896 0.750001 0.309210 Er\n0.182211 0.250000 0.503250 Er\n0.817789 0.750001 0.496750 Er\n0.932250 0.250000 0.831683 Er\n0.067749 0.750001 0.168317 Er\n0.246098 0.250000 0.276851 S\n0.753902 0.750001 0.723149 S\n0.581708 0.750001 0.900970 S\n0.418291 0.250000 0.099030 S\n0.021084 0.750001 0.385787 S\n0.389184 0.750001 0.537054 S\n0.691736 0.750001 0.249404 S\n0.308264 0.250000 0.750596 S\n0.102607 0.750001 0.936960 S\n0.610816 0.250000 0.462946 S\n0.978916 0.250000 0.614214 S\n0.897392 0.250000 0.063040 S\n",
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{
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"structure_string": "Mo2 H8 O10\n1.0\n4.029885 -0.057740 -0.011849\n-0.067915 6.430280 0.119756\n0.005342 1.407262 7.536684\nMo H O\n2 8 10\ndirect\n0.041362 0.987346 0.280352 Mo\n0.894536 0.039759 0.773283 Mo\n0.973633 0.437782 0.261502 H\n0.772225 0.387733 0.582866 H\n0.286334 0.408617 0.543496 H\n0.012431 0.651039 0.717779 H\n0.291806 0.429981 0.028588 H\n0.766081 0.368881 0.096263 H\n0.573240 0.576535 0.906017 H\n0.495019 0.589473 0.403595 H\n0.970849 0.333453 0.670332 O\n0.963937 0.038895 0.001225 O\n0.977003 0.014922 0.504455 O\n0.507844 0.431749 -0.033089 O\n0.491965 0.441548 0.467444 O\n0.474573 0.013064 0.259420 O\n0.466860 0.043430 0.755234 O\n0.972506 0.716644 0.294287 O\n0.970603 0.332259 0.183648 O\n0.955814 0.736981 0.804997 O\n",
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{
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"structure_string": "Ca1 Cu3 Sn4 O12\n1.0\n6.328265 -0.000000 -2.237379\n-3.164132 5.480439 -2.237379\n-0.000000 0.000000 6.712138\nCa Cu Sn O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500001 0.500000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.693104 0.523635 0.830533 O\n0.169468 0.306897 0.476365 O\n0.523636 0.830532 0.693103 O\n0.693104 0.862571 0.169468 O\n0.137430 0.830532 0.306897 O\n0.169468 0.693103 0.862571 O\n0.306898 0.476365 0.169468 O\n0.830533 0.693103 0.523635 O\n0.862571 0.169468 0.693103 O\n0.830533 0.306897 0.137430 O\n0.476366 0.169468 0.306897 O\n0.306897 0.137429 0.830532 O\n",
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{
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"structure_string": "Sr4 Pb4 O12\n1.0\n5.925384 -0.000000 0.000000\n-0.000000 6.093364 0.000000\n0.000000 0.000000 8.427616\nSr Pb O\n4 4 12\ndirect\n0.986031 0.447270 0.250000 Sr\n0.486032 0.052730 0.750000 Sr\n0.513968 0.947270 0.250000 Sr\n0.013968 0.552729 0.750000 Sr\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 Pb\n0.603684 0.458911 0.750000 O\n0.103684 0.041088 0.250000 O\n0.198789 0.297312 0.945741 O\n0.698788 0.202688 0.054260 O\n0.301211 0.797312 0.554260 O\n0.698788 0.202688 0.445741 O\n0.801211 0.702687 0.054260 O\n0.301211 0.797312 0.945741 O\n0.396315 0.541088 0.250000 O\n0.198789 0.297312 0.554260 O\n0.801211 0.702687 0.445741 O\n0.896315 0.958911 0.750000 O\n",
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{
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"structure_string": "Ca4 Se4 O12\n1.0\n5.419031 0.000000 0.000000\n0.000000 6.404750 0.000000\n0.000000 0.000000 8.370276\nCa Se O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.015560 0.024063 0.750000 Se\n0.484440 0.524063 0.750000 Se\n0.515559 0.475937 0.250000 Se\n0.984440 0.975937 0.250000 Se\n0.869591 0.828759 0.091399 O\n0.630409 0.328759 0.408601 O\n0.630409 0.328759 0.091399 O\n0.702640 0.081574 0.750000 O\n0.297360 0.918426 0.250000 O\n0.130409 0.171241 0.591400 O\n0.369591 0.671241 0.591400 O\n0.130409 0.171241 0.908601 O\n0.869591 0.828759 0.408601 O\n0.202640 0.418426 0.250000 O\n0.369591 0.671241 0.908601 O\n0.797359 0.581574 0.750000 O\n",
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"structure_string": "Al6 Cr2 O12\n1.0\n0.000000 5.222227 -0.002195\n4.858534 0.000000 0.000000\n0.000000 -0.707719 -7.108771\nAl Cr O\n6 2 12\ndirect\n0.294587 0.998216 0.853031 Al\n0.800038 0.497931 0.850134 Al\n0.205058 0.497655 0.646483 Al\n0.294587 0.001783 0.353031 Al\n0.800039 0.502068 0.350134 Al\n0.205058 0.502344 0.146483 Al\n0.699951 0.998015 0.649800 Cr\n0.699951 0.001984 0.149800 Cr\n0.153502 0.343726 0.402970 O\n0.851929 0.361284 0.095693 O\n0.646556 0.163686 0.398291 O\n0.499596 0.690316 0.253601 O\n0.009515 0.199046 0.755120 O\n0.851929 0.638715 0.595693 O\n0.339270 0.846116 0.594878 O\n0.153502 0.656273 0.902970 O\n0.009515 0.800953 0.255120 O\n0.646556 0.836313 0.898291 O\n0.499596 0.309683 0.753601 O\n0.339270 0.153883 0.094878 O\n",
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{
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"structure_string": "Ca4 P4 S12\n1.0\n0.000000 6.548404 0.002718\n7.283498 0.000000 0.000000\n0.000000 -6.192883 -9.184805\nCa P S\n4 4 12\ndirect\n0.712639 0.618612 0.752767 Ca\n0.287362 0.118611 0.747234 Ca\n0.287361 0.381389 0.247234 Ca\n0.712639 0.881389 0.252766 Ca\n0.363467 0.609857 0.933312 P\n0.636533 0.109857 0.566689 P\n0.636533 0.390144 0.066689 P\n0.363467 0.890144 0.433311 P\n0.778282 0.304504 0.952618 S\n0.221719 0.804504 0.547383 S\n0.113913 0.493018 0.737748 S\n0.886088 0.993018 0.762252 S\n0.886087 0.506983 0.262252 S\n0.416640 0.190965 0.066347 S\n0.583361 0.809035 0.933653 S\n0.416640 0.309035 0.566348 S\n0.778281 0.195496 0.452618 S\n0.583360 0.690965 0.433653 S\n0.113913 0.006982 0.237748 S\n0.221718 0.695496 0.047382 S\n",
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{
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"updated_at": "2022-09-04T14:37:08.588038Z",
"structure_string": "Sn4 P4 Se12\n1.0\n6.951831 0.000000 -0.132699\n0.000000 7.664654 0.000000\n-0.003899 0.000000 9.821702\nSn P Se\n4 4 12\ndirect\n0.461833 0.880219 0.720507 Sn\n0.538166 0.119780 0.279493 Sn\n0.961833 0.619780 0.220507 Sn\n0.038166 0.380220 0.779493 Sn\n0.942373 0.891796 0.566445 P\n0.442373 0.608203 0.066445 P\n0.057626 0.108203 0.433555 P\n0.557626 0.391796 0.933554 P\n0.384951 0.494227 0.268869 Se\n0.884950 0.005773 0.768868 Se\n0.615049 0.505772 0.731131 Se\n0.336112 0.185877 0.940548 Se\n0.663888 0.814123 0.059452 Se\n0.836112 0.314123 0.440548 Se\n0.826828 0.297076 0.039634 Se\n0.673171 0.797076 0.460365 Se\n0.173171 0.702923 0.960365 Se\n0.326828 0.202923 0.539634 Se\n0.115049 0.994227 0.231131 Se\n0.163888 0.685877 0.559452 Se\n",
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]
}