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{
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{
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"structure_string": "Fe12 Mo12 N4\n1.0\n0.000000 5.517761 5.517761\n5.517761 0.000000 5.517761\n5.517761 5.517761 0.000000\nFe Mo N\n12 12 4\ndirect\n0.125000 0.625000 0.625000 Fe\n0.625000 0.125000 0.625000 Fe\n0.625000 0.625000 0.125000 Fe\n0.625000 0.625000 0.625000 Fe\n0.731144 0.422952 0.422952 Fe\n0.422952 0.731144 0.422952 Fe\n0.422952 0.422952 0.731144 Fe\n0.422952 0.422952 0.422952 Fe\n0.518856 0.827048 0.827048 Fe\n0.827048 0.518856 0.827048 Fe\n0.827048 0.827048 0.518856 Fe\n0.827048 0.827048 0.827048 Fe\n0.797779 0.797779 0.202221 Mo\n0.202221 0.202221 0.797779 Mo\n0.797779 0.202221 0.797779 Mo\n0.202221 0.797779 0.202221 Mo\n0.202221 0.797779 0.797779 Mo\n0.797779 0.202221 0.202221 Mo\n0.452221 0.452221 0.047779 Mo\n0.047779 0.047779 0.452221 Mo\n0.452221 0.047779 0.452221 Mo\n0.047779 0.452221 0.047779 Mo\n0.047779 0.452221 0.452221 Mo\n0.452221 0.047779 0.047779 Mo\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n",
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{
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{
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"structure_string": "Sr8 Ta4 O18\n1.0\n2.973072 -5.149512 0.000000\n2.973072 5.149512 0.000000\n0.000000 0.000000 15.386520\nSr Ta O\n8 4 18\ndirect\n0.333333 0.666667 0.527810 Sr\n0.333333 0.666667 0.801052 Sr\n0.333333 0.666667 0.301052 Sr\n0.333333 0.666667 0.027810 Sr\n0.666667 0.333333 0.698948 Sr\n0.666667 0.333333 0.198948 Sr\n0.666667 0.333333 0.972190 Sr\n0.666667 0.333333 0.472190 Sr\n0.000000 0.000000 0.649519 Ta\n0.000000 0.000000 0.850481 Ta\n0.000000 0.000000 0.149519 Ta\n0.000000 0.000000 0.350481 Ta\n0.000000 0.751597 0.250000 O\n0.039858 0.730553 0.907100 O\n0.269447 0.960142 0.407100 O\n0.039858 0.309305 0.407100 O\n0.000000 0.248403 0.750000 O\n0.248403 0.248403 0.250000 O\n0.269447 0.309305 0.907100 O\n0.690695 0.960142 0.907100 O\n0.309305 0.269447 0.592900 O\n0.248403 0.000000 0.750000 O\n0.690695 0.730553 0.407100 O\n0.309305 0.039858 0.092900 O\n0.730553 0.690695 0.092900 O\n0.751597 0.751597 0.750000 O\n0.960142 0.690695 0.592900 O\n0.730553 0.039858 0.592900 O\n0.751597 0.000000 0.250000 O\n0.960142 0.269447 0.092900 O\n",
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{
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"structure_string": "Li1 Re4 O12\n1.0\n-3.734298 3.745986 3.772160\n3.734298 -3.745986 3.772160\n3.734298 3.745986 -3.772160\nLi Re O\n1 4 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Re\n0.500000 0.000000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.500000 0.500000 0.500000 Re\n0.286890 0.791973 0.078863 O\n0.215949 0.933251 0.717302 O\n0.215949 0.498647 0.282698 O\n0.934529 0.718814 0.215714 O\n0.496900 0.281186 0.215714 O\n0.713110 0.791973 0.505084 O\n0.286890 0.208027 0.494916 O\n0.065471 0.281186 0.784286 O\n0.503100 0.718814 0.784286 O\n0.784051 0.501353 0.717302 O\n0.784051 0.066749 0.282698 O\n0.713110 0.208027 0.921137 O\n",
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{
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"structure_string": "Sr4 V2 Mo2 O12\n1.0\n-0.000017 4.002283 4.002287\n0.000020 -4.002547 4.002551\n8.006636 -0.000027 0.000003\nSr V Mo O\n4 2 2 12\ndirect\n0.499999 0.000002 0.250227 Sr\n0.500001 0.999998 0.749773 Sr\n0.999999 0.500002 0.250198 Sr\n0.000002 0.499998 0.749802 Sr\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.999998 0.000001 0.260520 O\n0.000002 0.999999 0.739480 O\n0.500000 0.500000 0.241656 O\n0.500000 0.500000 0.758345 O\n0.248525 0.248490 0.999999 O\n0.239442 0.239401 0.500000 O\n0.751475 0.751510 0.000001 O\n0.760557 0.760599 0.500000 O\n0.248526 0.751528 0.000001 O\n0.239467 0.760575 0.500004 O\n0.751475 0.248472 0.999999 O\n0.760533 0.239425 0.499996 O\n",
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{
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{
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"structure_string": "Zn4 H24 C8 N8 Cl16\n1.0\n13.144778 0.000000 0.000000\n0.000000 7.536068 0.000000\n0.000000 1.481873 13.567945\nZn H C N Cl\n4 24 8 8 16\ndirect\n0.586431 0.737794 0.293602 Zn\n0.086431 0.262206 0.206398 Zn\n0.413569 0.262206 0.706398 Zn\n0.913569 0.737794 0.793602 Zn\n0.120672 0.525254 0.542368 H\n0.620672 0.474746 0.957632 H\n0.879328 0.474746 0.457632 H\n0.379328 0.525254 0.042368 H\n0.357045 0.790926 0.374193 H\n0.857045 0.209074 0.125807 H\n0.642955 0.209074 0.625807 H\n0.142955 0.790926 0.874193 H\n0.961524 0.849347 0.121596 H\n0.461524 0.150653 0.378404 H\n0.038476 0.150653 0.878404 H\n0.538476 0.849347 0.621596 H\n0.593660 0.705620 0.540325 H\n0.093660 0.294380 0.959675 H\n0.406340 0.294380 0.459675 H\n0.906340 0.705620 0.040325 H\n0.826419 0.857527 0.093239 H\n0.326419 0.142473 0.406761 H\n0.173581 0.142473 0.906761 H\n0.673581 0.857527 0.593239 H\n0.876519 0.675269 0.169865 H\n0.376519 0.324731 0.330135 H\n0.123481 0.324731 0.830135 H\n0.623481 0.675269 0.669865 H\n0.865542 0.594083 0.408994 C\n0.365542 0.405917 0.091006 C\n0.134458 0.405917 0.591006 C\n0.634458 0.594083 0.908994 C\n0.893187 0.772800 0.106369 C\n0.393187 0.227200 0.393631 C\n0.106813 0.227200 0.893631 C\n0.606813 0.772800 0.606369 C\n0.061827 0.946393 0.374254 N\n0.561827 0.053607 0.125746 N\n0.938173 0.053607 0.625746 N\n0.438173 0.946393 0.874254 N\n0.851045 0.724643 0.357321 N\n0.351045 0.275357 0.142679 N\n0.148955 0.275357 0.642679 N\n0.648955 0.724643 0.857321 N\n0.611696 0.651339 0.144899 Cl\n0.111696 0.348661 0.355101 Cl\n0.388304 0.348661 0.855101 Cl\n0.888304 0.651339 0.644899 Cl\n0.372970 0.785664 0.281504 Cl\n0.872970 0.214336 0.218496 Cl\n0.627030 0.214336 0.718496 Cl\n0.127030 0.785664 0.781504 Cl\n0.596566 0.495576 0.403651 Cl\n0.096566 0.504424 0.096349 Cl\n0.403434 0.504424 0.596349 Cl\n0.903434 0.495576 0.903651 Cl\n0.626956 0.992585 0.348592 Cl\n0.126956 0.007415 0.151408 Cl\n0.373044 0.007415 0.651408 Cl\n0.873044 0.992585 0.848592 Cl\n",
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},
{
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"elements": [
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"formula_full": "Eu4 V4 O12",
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{
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"structure_string": "Na3 Mg4 Sc1 Si8 O22 F2\n1.0\n5.268176 0.468661 0.875825\n0.728065 8.661720 4.828909\n-0.571440 -0.031165 10.371993\nNa Mg Sc Si O F\n3 4 1 8 22 2\ndirect\n0.499819 0.278117 0.443840 Na\n0.499819 0.726968 0.545306 Na\n0.927616 0.528696 0.000321 Na\n0.000404 0.997898 0.004364 Mg\n0.499934 0.086862 0.826857 Mg\n0.499823 0.910396 0.180172 Mg\n0.000047 0.818135 0.364145 Mg\n0.999925 0.183128 0.634631 Sc\n0.207926 0.118076 0.335885 Si\n0.206889 0.459954 0.660664 Si\n0.285626 0.634152 0.168920 Si\n0.286806 0.801151 0.832912 Si\n0.714113 0.196397 0.169549 Si\n0.712547 0.365654 0.833260 Si\n0.791468 0.546688 0.336696 Si\n0.792003 0.881400 0.659273 Si\n0.068338 0.526464 0.249516 O\n0.197749 0.115648 0.493760 O\n0.068164 0.778399 0.750494 O\n0.200874 0.607731 0.503736 O\n0.273801 0.285554 0.668509 O\n0.216093 0.802167 0.167191 O\n0.291228 0.654610 0.000592 O\n0.432176 0.222857 0.242423 O\n0.214319 0.970500 0.831998 O\n0.271846 0.953286 0.331797 O\n0.430488 0.461797 0.761226 O\n0.571668 0.536493 0.238286 O\n0.705440 0.344215 0.001169 O\n0.724057 0.047236 0.667603 O\n0.784506 0.030346 0.166894 O\n0.573274 0.775192 0.764612 O\n0.785883 0.196782 0.832750 O\n0.726130 0.715516 0.332135 O\n0.799693 0.391333 0.493563 O\n0.930192 0.224684 0.249956 O\n0.795814 0.889054 0.503214 O\n0.930442 0.471561 0.751449 O\n0.293732 0.099656 0.000339 F\n0.709328 0.897247 0.999991 F\n",
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"formula_reduced": "Na3Mg4ScSi8(O11F)2",
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}