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{
"id": "mp-554071",
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"structure_string": "Na16 Nb4 Cu8 S42\n1.0\n6.824540 0.000000 0.000000\n0.000000 7.861235 0.000000\n0.000000 0.000000 30.121535\nNa Nb Cu S\n16 4 8 42\ndirect\n0.442498 0.239314 0.759064 Na\n0.857384 0.248348 0.852769 Na\n0.836506 0.235017 0.142391 Na\n0.240283 0.000000 0.500000 Na\n0.142616 0.748348 0.647231 Na\n0.163494 0.264983 0.642391 Na\n0.557502 0.260686 0.259064 Na\n0.163494 0.735017 0.357609 Na\n0.142616 0.251652 0.352769 Na\n0.759717 0.500000 0.000000 Na\n0.540027 0.500000 0.500000 Na\n0.836506 0.764983 0.857609 Na\n0.557502 0.739314 0.740936 Na\n0.459973 0.000000 0.000000 Na\n0.442498 0.760686 0.240936 Na\n0.857384 0.751652 0.147231 Na\n0.460011 0.500574 0.107261 Nb\n0.460011 0.499426 0.892739 Nb\n0.539989 0.999426 0.607261 Nb\n0.539989 0.000574 0.392739 Nb\n0.225678 0.751342 0.068937 Cu\n0.223761 0.251745 0.067311 Cu\n0.774322 0.748658 0.568937 Cu\n0.225678 0.248658 0.931063 Cu\n0.774322 0.251342 0.431063 Cu\n0.223761 0.748255 0.932689 Cu\n0.776239 0.751745 0.432689 Cu\n0.776239 0.248255 0.567311 Cu\n0.413943 0.996220 0.321792 S\n0.195698 0.848549 0.791571 S\n0.004730 0.012298 0.247611 S\n0.078560 0.219120 0.999250 S\n0.686349 0.491522 0.339175 S\n0.881417 0.999802 0.395954 S\n0.921440 0.280880 0.499250 S\n0.437708 0.233741 0.567381 S\n0.876179 0.499452 0.606208 S\n0.195698 0.151451 0.208429 S\n0.565427 0.259857 0.929874 S\n0.253928 0.499580 0.710935 S\n0.921440 0.719120 0.500750 S\n0.434573 0.759857 0.570126 S\n0.586057 0.496220 0.178208 S\n0.094026 0.500000 0.500000 S\n0.313651 0.008478 0.839175 S\n0.413943 0.003780 0.678208 S\n0.905974 0.000000 0.000000 S\n0.078560 0.780880 0.000750 S\n0.118583 0.499802 0.104046 S\n0.434573 0.240143 0.429874 S\n0.746072 0.999580 0.789065 S\n0.123821 0.000548 0.106208 S\n0.118583 0.500198 0.895954 S\n0.995270 0.487702 0.747611 S\n0.876179 0.500548 0.393792 S\n0.804302 0.348549 0.708429 S\n0.995270 0.512298 0.252389 S\n0.565427 0.740143 0.070126 S\n0.804302 0.651451 0.291571 S\n0.686349 0.508478 0.660825 S\n0.437708 0.766259 0.432619 S\n0.253928 0.500420 0.289065 S\n0.004730 0.987702 0.752389 S\n0.881417 0.000198 0.604046 S\n0.562292 0.266259 0.067381 S\n0.123821 0.999452 0.893792 S\n0.586057 0.503780 0.821792 S\n0.562292 0.733741 0.932619 S\n0.313651 0.991522 0.160825 S\n0.746072 0.000420 0.210935 S\n",
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"formula_full": "Na16 Nb4 Cu8 S42",
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{
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"structure_string": "K3 Rb1\n1.0\n0.000000 5.415650 5.415650\n5.415650 0.000000 5.415650\n5.415650 5.415650 0.000000\nK Rb\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Rb\n",
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"formula_full": "K3 Rb1",
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{
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{
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"structure_string": "Sb4 C4 S4 Cl8 F36\n1.0\n9.807782 0.000000 0.000000\n0.000000 8.027716 0.000000\n0.000000 2.297722 12.541116\nSb C S Cl F\n4 4 4 8 36\ndirect\n0.250706 0.196978 0.933460 Sb\n0.249294 0.196978 0.433460 Sb\n0.749294 0.803022 0.066540 Sb\n0.750706 0.803022 0.566540 Sb\n0.174074 0.619814 0.626995 C\n0.325926 0.619814 0.126995 C\n0.674074 0.380186 0.873005 C\n0.825926 0.380186 0.373005 C\n0.822787 0.175253 0.299943 S\n0.177213 0.824747 0.700057 S\n0.677213 0.175253 0.799943 S\n0.322787 0.824747 0.200057 S\n0.070170 0.737614 0.830226 Cl\n0.130708 0.814945 0.247700 Cl\n0.929830 0.262386 0.169774 Cl\n0.869292 0.185055 0.752300 Cl\n0.570170 0.262386 0.669774 Cl\n0.630708 0.185055 0.252300 Cl\n0.429830 0.737614 0.330226 Cl\n0.369292 0.814945 0.747700 Cl\n0.294901 0.972518 0.508622 F\n0.671296 0.860065 0.693451 F\n0.698882 0.432887 0.381139 F\n0.828704 0.860065 0.193451 F\n0.578361 0.716613 0.529213 F\n0.169685 0.244002 0.561903 F\n0.205099 0.972518 0.008622 F\n0.669685 0.755998 0.938097 F\n0.903037 0.498188 0.315995 F\n0.699503 0.582417 0.141323 F\n0.830315 0.755998 0.438097 F\n0.801118 0.432887 0.881139 F\n0.096963 0.501812 0.684005 F\n0.330315 0.244002 0.061903 F\n0.379657 0.675332 0.031397 F\n0.078361 0.283387 0.970787 F\n0.171296 0.139935 0.806549 F\n0.596963 0.498188 0.815995 F\n0.800497 0.582417 0.641323 F\n0.705099 0.027482 0.491378 F\n0.301118 0.567113 0.618861 F\n0.923471 0.888662 0.607149 F\n0.620343 0.324668 0.968603 F\n0.120343 0.675332 0.531397 F\n0.921639 0.716613 0.029213 F\n0.423471 0.111338 0.892851 F\n0.576529 0.888662 0.107149 F\n0.879657 0.324668 0.468603 F\n0.403037 0.501812 0.184005 F\n0.328704 0.139935 0.306549 F\n0.076529 0.111338 0.392851 F\n0.300497 0.417583 0.858677 F\n0.794901 0.027482 0.991378 F\n0.199503 0.417583 0.358677 F\n0.421639 0.283387 0.470787 F\n0.198882 0.567113 0.118861 F\n",
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{
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"structure_string": "Pa2 Rh2 O5\n1.0\n4.031747 0.000000 0.000000\n0.000000 4.031747 0.000000\n0.000000 0.000000 6.888511\nPa Rh O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Pa\n0.000000 0.000000 0.500000 Pa\n0.500000 0.500000 0.191378 Rh\n0.500000 0.500000 0.808622 Rh\n0.500000 0.000000 0.239186 O\n0.500000 0.000000 0.760814 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.239186 O\n0.000000 0.500000 0.760814 O\n",
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{
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{
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{
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{
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