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{
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{
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{
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{
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"structure_string": "Ba12 Nb4 As12 O4\n1.0\n6.820362 0.000000 0.000000\n0.000000 11.254607 0.000000\n0.000000 0.000000 13.677495\nBa Nb As O\n12 4 12 4\ndirect\n0.243299 0.045220 0.130826 Ba\n0.256701 0.545220 0.630826 Ba\n0.243299 0.454780 0.130826 Ba\n0.743299 0.045220 0.369174 Ba\n0.756701 0.954780 0.869174 Ba\n0.743299 0.454780 0.369174 Ba\n0.756701 0.545220 0.869174 Ba\n0.256701 0.954780 0.630826 Ba\n0.273272 0.250000 0.872007 Ba\n0.773272 0.250000 0.627993 Ba\n0.726728 0.750000 0.127993 Ba\n0.226728 0.750000 0.372006 Ba\n0.660318 0.750000 0.545437 Nb\n0.339682 0.250000 0.454563 Nb\n0.160318 0.750000 0.954563 Nb\n0.839682 0.250000 0.045437 Nb\n0.272917 0.250000 0.633313 As\n0.772917 0.250000 0.866687 As\n0.727083 0.750000 0.366687 As\n0.227083 0.750000 0.133313 As\n0.736580 0.443942 0.117355 As\n0.236580 0.443942 0.382645 As\n0.263420 0.943942 0.882645 As\n0.763420 0.556058 0.617355 As\n0.263420 0.556058 0.882645 As\n0.763420 0.943942 0.617355 As\n0.736580 0.056058 0.117355 As\n0.236580 0.056058 0.382645 As\n0.118555 0.250000 0.053380 O\n0.618555 0.250000 0.446620 O\n0.881445 0.750000 0.946620 O\n0.381445 0.750000 0.553380 O\n",
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{
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{
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{
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{
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"structure_string": "Mn6 Se6 O20\n1.0\n3.401062 8.058650 0.000000\n-3.401062 8.058650 0.000000\n0.000000 4.866256 8.667822\nMn Se O\n6 6 20\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.617154 0.617154 0.915241 Mn\n0.382846 0.382846 0.084759 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.531299 0.531299 0.667316 Se\n0.468701 0.468701 0.332684 Se\n0.860497 0.860497 0.673043 Se\n0.139503 0.139503 0.326957 Se\n0.886274 0.886274 0.170629 Se\n0.113726 0.113726 0.829371 Se\n0.307424 0.307424 0.984942 O\n0.692576 0.692576 0.015058 O\n0.216196 0.216196 0.651809 O\n0.783804 0.783804 0.348191 O\n0.750817 0.750817 0.670491 O\n0.249183 0.249183 0.329509 O\n0.483026 0.483026 0.140294 O\n0.516974 0.516974 0.859706 O\n0.058403 0.667072 0.080949 O\n0.332928 0.941597 0.919051 O\n0.941597 0.332928 0.919051 O\n0.667072 0.058403 0.080949 O\n0.402415 0.803612 0.591922 O\n0.196388 0.597585 0.408078 O\n0.597585 0.196388 0.408078 O\n0.803612 0.402415 0.591922 O\n0.050779 0.648878 0.785760 O\n0.949221 0.351122 0.214240 O\n0.351122 0.949221 0.214240 O\n0.648878 0.050779 0.785760 O\n",
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{
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{
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},
{
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"structure_string": "K4 Nd4 H24 C16 O44\n1.0\n3.768459 11.743913 0.000000\n-3.768459 11.743913 0.000000\n0.000000 2.122897 12.853104\nK Nd H C O\n4 4 24 16 44\ndirect\n0.419285 0.420164 0.869984 K\n0.579836 0.580715 0.630016 K\n0.580715 0.579836 0.130016 K\n0.420164 0.419285 0.369984 K\n0.863776 0.862661 0.513870 Nd\n0.137339 0.136224 0.986130 Nd\n0.136224 0.137339 0.486130 Nd\n0.862661 0.863776 0.013870 Nd\n0.459394 0.178076 0.622652 H\n0.821924 0.540606 0.877348 H\n0.540606 0.821924 0.377348 H\n0.178076 0.459394 0.122652 H\n0.443801 0.155429 0.511155 H\n0.844571 0.556199 0.988845 H\n0.556199 0.844571 0.488845 H\n0.155429 0.443801 0.011155 H\n0.197919 0.432255 0.718283 H\n0.567745 0.802081 0.781717 H\n0.802081 0.567745 0.281717 H\n0.432255 0.197919 0.218283 H\n0.306149 0.268592 0.801831 H\n0.731408 0.693851 0.698169 H\n0.693851 0.731408 0.198169 H\n0.268592 0.306149 0.301831 H\n0.354800 0.540141 0.615428 H\n0.459859 0.645200 0.884572 H\n0.645200 0.459859 0.384572 H\n0.540141 0.354800 0.115428 H\n0.556793 0.326164 0.635547 H\n0.673836 0.443207 0.864453 H\n0.443207 0.673836 0.364453 H\n0.326164 0.556793 0.135547 H\n0.940453 0.758676 0.768829 C\n0.241324 0.059547 0.731171 C\n0.059547 0.241324 0.231171 C\n0.758676 0.940453 0.268829 C\n0.810243 0.966016 0.756399 C\n0.033984 0.189757 0.743601 C\n0.189757 0.033984 0.243601 C\n0.966016 0.810243 0.256399 C\n0.905415 0.097309 0.475785 C\n0.902691 0.094585 0.024215 C\n0.094585 0.902691 0.524215 C\n0.097309 0.905415 0.975785 C\n0.899276 0.559199 0.512081 C\n0.440801 0.100724 0.987919 C\n0.100724 0.440801 0.487919 C\n0.559199 0.899276 0.012081 C\n0.001346 0.678286 0.858127 O\n0.321714 0.998654 0.641873 O\n0.998654 0.321714 0.141873 O\n0.678286 0.001346 0.358127 O\n0.979306 0.682936 0.688555 O\n0.317064 0.020694 0.811445 O\n0.020694 0.317064 0.311445 O\n0.682936 0.979306 0.188555 O\n0.764224 0.041550 0.838653 O\n0.958450 0.235776 0.661347 O\n0.235776 0.958450 0.161347 O\n0.041550 0.764224 0.338653 O\n0.761806 0.041467 0.665294 O\n0.958533 0.238194 0.834706 O\n0.238194 0.958533 0.334706 O\n0.041467 0.761806 0.165294 O\n0.795327 0.114932 0.453510 O\n0.885068 0.204673 0.046490 O\n0.204673 0.885068 0.546490 O\n0.114932 0.795327 0.953510 O\n0.876071 0.224006 0.462334 O\n0.775994 0.123929 0.037666 O\n0.123929 0.775994 0.537666 O\n0.224006 0.876071 0.962334 O\n0.774051 0.729783 0.530510 O\n0.270217 0.225949 0.969490 O\n0.225949 0.270217 0.469490 O\n0.729783 0.774051 0.030510 O\n0.873516 0.478998 0.512474 O\n0.521002 0.126484 0.987526 O\n0.126484 0.521002 0.487526 O\n0.478998 0.873516 0.012474 O\n0.526014 0.126078 0.553371 O\n0.873922 0.473986 0.946629 O\n0.473986 0.873922 0.446629 O\n0.126078 0.526014 0.053371 O\n0.324013 0.301245 0.734594 O\n0.698755 0.675987 0.765406 O\n0.675987 0.698755 0.265406 O\n0.301245 0.324013 0.234594 O\n0.467604 0.453763 0.654080 O\n0.546237 0.532396 0.845920 O\n0.532396 0.546237 0.345920 O\n0.453763 0.467604 0.154080 O\n",
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}
]
}