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{
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{
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{
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"structure_string": "Mg8 Ta8 Co4 O32\n1.0\n5.206262 -0.000126 -0.026324\n-0.018762 11.485236 -3.525081\n0.000624 -0.070153 10.002193\nMg Ta Co O\n8 8 4 32\ndirect\n0.756241 0.208244 0.545969 Mg\n0.756199 0.708205 0.545935 Mg\n0.745429 0.435471 0.455368 Mg\n0.745466 0.935444 0.455344 Mg\n0.245524 0.292257 0.455054 Mg\n0.245488 0.792213 0.455010 Mg\n0.256254 0.065050 0.545832 Mg\n0.256278 0.565017 0.545806 Mg\n0.743504 0.139796 0.231604 Ta\n0.743417 0.639751 0.231563 Ta\n0.758519 0.024445 0.769521 Ta\n0.758571 0.524447 0.769565 Ta\n0.258536 0.360755 0.769424 Ta\n0.258420 0.860762 0.769352 Ta\n0.243373 0.476116 0.231548 Ta\n0.243442 0.976184 0.231622 Ta\n0.750979 0.822025 0.000569 Co\n0.251131 0.178584 0.000481 Co\n0.751050 0.321798 0.000618 Co\n0.251066 0.678892 0.000434 Co\n0.079415 0.091935 0.142565 O\n0.079344 0.591802 0.142581 O\n0.422511 0.021024 0.858496 O\n0.422574 0.520913 0.858394 O\n0.922584 0.408756 0.858528 O\n0.922496 0.908678 0.858512 O\n0.579327 0.479623 0.142629 O\n0.579400 0.979581 0.142552 O\n0.588355 0.215748 0.116737 O\n0.588029 0.715608 0.116580 O\n0.913979 0.157747 0.884184 O\n0.914049 0.657842 0.884450 O\n0.414043 0.284943 0.884409 O\n0.413700 0.784898 0.884296 O\n0.088064 0.342714 0.116629 O\n0.088159 0.842881 0.116842 O\n0.455446 0.144732 0.372602 O\n0.455411 0.644748 0.372629 O\n0.046307 0.458863 0.628471 O\n0.046323 0.958829 0.628428 O\n0.955486 0.041683 0.372650 O\n0.955473 0.541645 0.372620 O\n0.546453 0.355768 0.628362 O\n0.546383 0.855794 0.628395 O\n0.380051 0.418635 0.382549 O\n0.380143 0.918656 0.382541 O\n0.121830 0.227722 0.618460 O\n0.121764 0.727750 0.618504 O\n0.621690 0.081879 0.618538 O\n0.621766 0.581905 0.618555 O\n0.880036 0.272763 0.382548 O\n0.879975 0.772786 0.382578 O\n",
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"spacegroup": 15
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{
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"structure_string": "Ca4 Mo8 P8 O36\n1.0\n6.741836 0.000000 0.000000\n0.000000 7.474252 0.000000\n0.000000 0.000000 15.046791\nCa Mo P O\n4 8 8 36\ndirect\n0.750000 0.899593 0.778117 Ca\n0.750000 0.600407 0.278117 Ca\n0.250000 0.399593 0.721883 Ca\n0.250000 0.100407 0.221883 Ca\n0.750000 0.363755 0.876612 Mo\n0.250000 0.636245 0.123388 Mo\n0.250000 0.863755 0.623388 Mo\n0.750000 0.136245 0.376612 Mo\n0.500000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.250000 0.368291 0.927848 P\n0.750000 0.631709 0.072152 P\n0.750000 0.868291 0.572152 P\n0.250000 0.131709 0.427848 P\n0.750000 0.395874 0.690551 P\n0.750000 0.104126 0.190551 P\n0.250000 0.895874 0.809449 P\n0.250000 0.604126 0.309449 P\n0.057505 0.603136 0.366150 O\n0.557505 0.396864 0.633850 O\n0.942495 0.103136 0.133850 O\n0.442495 0.896864 0.866150 O\n0.942495 0.396864 0.633850 O\n0.442495 0.603136 0.366150 O\n0.057505 0.896864 0.866150 O\n0.557505 0.103136 0.133850 O\n0.250000 0.317535 0.478154 O\n0.750000 0.682465 0.521846 O\n0.750000 0.817535 0.021846 O\n0.250000 0.182465 0.978154 O\n0.750000 0.116695 0.937493 O\n0.250000 0.883305 0.062507 O\n0.250000 0.616695 0.562507 O\n0.750000 0.383305 0.437493 O\n0.750000 0.223665 0.749793 O\n0.250000 0.776335 0.250207 O\n0.250000 0.723665 0.750207 O\n0.750000 0.276335 0.249793 O\n0.430129 0.126064 0.363840 O\n0.930129 0.873936 0.636160 O\n0.569871 0.626064 0.136160 O\n0.069871 0.373936 0.863840 O\n0.569871 0.873936 0.636160 O\n0.069871 0.126064 0.363840 O\n0.430129 0.373936 0.863840 O\n0.930129 0.626064 0.136160 O\n0.750000 0.483573 0.003926 O\n0.250000 0.054485 0.740913 O\n0.250000 0.445515 0.240913 O\n0.750000 0.554485 0.759087 O\n0.750000 0.016427 0.503926 O\n0.250000 0.983573 0.496074 O\n0.250000 0.516427 0.996074 O\n0.750000 0.945515 0.259087 O\n",
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{
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{
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"structure_string": "Sr4 La2 Bi2 O12\n1.0\n6.052089 -0.004529 0.010298\n0.004783 6.218674 -0.004909\n0.032045 0.006880 8.673686\nSr La Bi O\n4 2 2 12\ndirect\n0.512635 0.548194 0.250548 Sr\n0.987336 0.048192 0.249415 Sr\n0.487365 0.451806 0.749452 Sr\n0.012664 0.951808 0.750585 Sr\n0.500000 -0.000000 -0.000000 La\n0.000000 0.500000 0.500000 La\n0.000000 0.500000 -0.000000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.182435 0.213241 0.941832 O\n0.317573 0.713198 0.558184 O\n0.817565 0.786759 0.058168 O\n0.682427 0.286802 0.441816 O\n0.286867 0.689182 0.946254 O\n0.213091 0.189172 0.553766 O\n0.713133 0.310818 0.053746 O\n0.786909 0.810828 0.446234 O\n0.394580 0.955810 0.264623 O\n0.105370 0.455794 0.235398 O\n0.605420 0.044190 0.735377 O\n0.894630 0.544206 0.764602 O\n",
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{
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"structure_string": "Li24 Sb8 S24\n1.0\n10.518505 0.000000 0.000000\n0.000000 8.516883 0.000000\n0.000000 0.358557 13.726992\nLi Sb S\n24 8 24\ndirect\n0.041786 0.929420 0.895808 Li\n0.458214 0.929420 0.395808 Li\n0.885166 0.828289 0.702817 Li\n0.614834 0.828289 0.202817 Li\n0.414147 0.842798 0.918959 Li\n0.085853 0.842798 0.418959 Li\n0.592739 0.697299 0.674893 Li\n0.907261 0.697299 0.174893 Li\n0.106535 0.627326 0.961589 Li\n0.393465 0.627326 0.461589 Li\n0.980017 0.571767 0.605136 Li\n0.519983 0.571767 0.105136 Li\n0.480017 0.428233 0.894864 Li\n0.019983 0.428233 0.394864 Li\n0.606535 0.372674 0.538411 Li\n0.893465 0.372674 0.038411 Li\n0.092739 0.302701 0.825107 Li\n0.407261 0.302701 0.325107 Li\n0.914147 0.157202 0.581041 Li\n0.585853 0.157202 0.081041 Li\n0.385166 0.171711 0.797183 Li\n0.114834 0.171711 0.297183 Li\n0.541786 0.070580 0.604192 Li\n0.958214 0.070580 0.104192 Li\n0.746250 0.770899 0.942383 Sb\n0.753750 0.770899 0.442383 Sb\n0.248697 0.749746 0.693286 Sb\n0.251303 0.749746 0.193286 Sb\n0.748697 0.250254 0.806714 Sb\n0.751303 0.250254 0.306714 Sb\n0.246250 0.229101 0.557617 Sb\n0.253750 0.229101 0.057617 Sb\n0.246447 0.953583 0.817454 S\n0.253553 0.953583 0.317454 S\n0.064916 0.834236 0.594419 S\n0.435084 0.834236 0.094419 S\n0.424608 0.827202 0.580854 S\n0.075392 0.827202 0.080854 S\n0.932575 0.681039 0.849159 S\n0.568656 0.669669 0.846652 S\n0.567425 0.681039 0.349159 S\n0.931344 0.669669 0.346652 S\n0.755215 0.574939 0.579128 S\n0.744785 0.574939 0.079128 S\n0.255215 0.425061 0.920872 S\n0.244785 0.425061 0.420872 S\n0.068656 0.330331 0.653348 S\n0.432575 0.318961 0.650841 S\n0.431344 0.330331 0.153348 S\n0.067425 0.318961 0.150841 S\n0.924608 0.172798 0.919146 S\n0.575392 0.172798 0.419146 S\n0.564916 0.165764 0.905581 S\n0.935084 0.165764 0.405581 S\n0.746447 0.046417 0.682546 S\n0.753553 0.046417 0.182546 S\n",
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{
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}