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{
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{
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"structure_string": "K1 La1 Tb1 Bi1 O6\n1.0\n0.000000 -4.301907 -4.301907\n4.301907 0.000000 -4.301907\n4.301907 -4.301907 0.000000\nK La Tb Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.000000 0.000000 Bi\n0.756116 0.243884 0.243884 O\n0.243884 0.756116 0.756116 O\n0.756116 0.243884 0.756116 O\n0.243884 0.756116 0.243884 O\n0.756116 0.756116 0.243884 O\n0.243884 0.243884 0.756116 O\n",
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{
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{
"id": "mp-1256602",
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"structure_string": "Si2 H28 O8 F12\n1.0\n5.646902 0.000000 -1.945176\n0.000000 13.120124 0.000000\n-0.040279 0.000000 6.411094\nSi H O F\n2 28 8 12\ndirect\n0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.641289 0.096057 0.415578 H\n0.358711 0.596057 0.084422 H\n0.358711 0.903943 0.584422 H\n0.641289 0.403943 0.915578 H\n0.734070 0.123020 0.212751 H\n0.265930 0.623020 0.287249 H\n0.265930 0.876980 0.787249 H\n0.734070 0.376980 0.712751 H\n0.860987 0.185523 0.475353 H\n0.139013 0.685523 0.024647 H\n0.139013 0.814477 0.524647 H\n0.860987 0.314477 0.975353 H\n0.111572 0.286144 0.601566 H\n0.888428 0.786144 0.898434 H\n0.888428 0.713856 0.398434 H\n0.111572 0.213856 0.101566 H\n0.141335 0.176123 0.730058 H\n0.858665 0.676123 0.769942 H\n0.858665 0.823877 0.269942 H\n0.141335 0.323877 0.230058 H\n0.360151 0.076841 0.568205 H\n0.639849 0.576841 0.931795 H\n0.639849 0.923159 0.431795 H\n0.360151 0.423159 0.068205 H\n0.464460 0.082485 0.673422 H\n0.535540 0.582485 0.826578 H\n0.535540 0.917515 0.326578 H\n0.464460 0.417515 0.173422 H\n0.697645 0.152198 0.345373 O\n0.302355 0.652198 0.154627 O\n0.302355 0.847802 0.654627 O\n0.697645 0.347802 0.845373 O\n0.029800 0.225602 0.636965 O\n0.970200 0.725602 0.863035 O\n0.970200 0.774398 0.363035 O\n0.029800 0.274398 0.136965 O\n0.190090 0.396012 0.527193 F\n0.809910 0.896012 0.972807 F\n0.809910 0.603988 0.472807 F\n0.190090 0.103988 0.027193 F\n0.225867 0.581379 0.491912 F\n0.774133 0.081379 0.008088 F\n0.774133 0.418621 0.508088 F\n0.225867 0.918621 0.991912 F\n0.088134 0.512579 0.777931 F\n0.911866 0.012579 0.722069 F\n0.911866 0.487421 0.222069 F\n0.088134 0.987421 0.277931 F\n",
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"formula_full": "Si2 H28 O8 F12",
"formula_reduced": "SiH14(O2F3)2",
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{
"id": "mp-863012",
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"structure_string": "Cd4 H40 C12 N4 Cl12\n1.0\n6.835618 0.000000 0.000000\n0.000000 9.186837 0.000000\n0.000000 0.000000 14.585366\nCd H C N Cl\n4 40 12 4 12\ndirect\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.250000 0.958371 0.755800 H\n0.250000 0.541629 0.255800 H\n0.750000 0.041629 0.244200 H\n0.750000 0.458371 0.744200 H\n0.250000 0.245760 0.663119 H\n0.250000 0.254240 0.163119 H\n0.750000 0.754240 0.336881 H\n0.750000 0.745760 0.836881 H\n0.119001 0.196579 0.765485 H\n0.380999 0.303421 0.265485 H\n0.619001 0.803421 0.234515 H\n0.880999 0.696579 0.734515 H\n0.880999 0.803421 0.234515 H\n0.619001 0.696579 0.734515 H\n0.380999 0.196579 0.765485 H\n0.119001 0.303421 0.265485 H\n0.065640 0.057045 0.583158 H\n0.434360 0.442955 0.083158 H\n0.565640 0.942955 0.416842 H\n0.934360 0.557045 0.916842 H\n0.934360 0.942955 0.416842 H\n0.565640 0.557045 0.916842 H\n0.434360 0.057045 0.583158 H\n0.065640 0.442955 0.083158 H\n0.075696 0.870667 0.621609 H\n0.424304 0.629333 0.121609 H\n0.575696 0.129333 0.378391 H\n0.924304 0.370667 0.878391 H\n0.924304 0.129333 0.378391 H\n0.575696 0.370667 0.878391 H\n0.424304 0.870667 0.621609 H\n0.075696 0.629333 0.121609 H\n0.942259 0.005588 0.686218 H\n0.557741 0.494412 0.186218 H\n0.442259 0.994412 0.313782 H\n0.057741 0.505588 0.813782 H\n0.057741 0.994412 0.313782 H\n0.442259 0.505588 0.813782 H\n0.557741 0.005588 0.686218 H\n0.942259 0.494412 0.186218 H\n0.250000 0.176891 0.724390 C\n0.250000 0.323109 0.224390 C\n0.750000 0.823109 0.275610 C\n0.750000 0.676891 0.775610 C\n0.069902 0.985031 0.642793 C\n0.430098 0.514969 0.142793 C\n0.569902 0.014969 0.357207 C\n0.930098 0.485031 0.857207 C\n0.930098 0.014969 0.357207 C\n0.569902 0.485031 0.857207 C\n0.430098 0.985031 0.642793 C\n0.069902 0.514969 0.142793 C\n0.250000 0.020923 0.695944 N\n0.250000 0.479077 0.195944 N\n0.750000 0.979077 0.304056 N\n0.750000 0.520923 0.804056 N\n0.250000 0.574783 0.634187 Cl\n0.250000 0.925217 0.134187 Cl\n0.750000 0.425217 0.365813 Cl\n0.750000 0.074783 0.865813 Cl\n0.250000 0.653099 0.391784 Cl\n0.250000 0.846901 0.891784 Cl\n0.750000 0.346901 0.608216 Cl\n0.750000 0.153099 0.108216 Cl\n0.250000 0.281960 0.472200 Cl\n0.250000 0.218040 0.972200 Cl\n0.750000 0.718040 0.527800 Cl\n0.750000 0.781960 0.027800 Cl\n",
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{
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"structure_string": "La2 Y6 S12\n1.0\n4.024889 0.000000 0.000000\n0.000000 11.148682 0.000000\n0.000000 3.691712 10.809115\nLa Y S\n2 6 12\ndirect\n0.250000 0.949291 0.695606 La\n0.750000 0.050709 0.304394 La\n0.250000 0.555888 0.833638 Y\n0.750000 0.444112 0.166362 Y\n0.250000 0.320333 0.500792 Y\n0.750000 0.679667 0.499208 Y\n0.250000 0.838915 0.087398 Y\n0.750000 0.161085 0.912602 Y\n0.250000 0.520806 0.612260 S\n0.750000 0.479194 0.387740 S\n0.250000 0.082073 0.093299 S\n0.750000 0.917927 0.906701 S\n0.250000 0.607065 0.056259 S\n0.750000 0.392935 0.943741 S\n0.250000 0.267826 0.270076 S\n0.750000 0.732174 0.729924 S\n0.250000 0.880692 0.463191 S\n0.750000 0.119308 0.536809 S\n0.250000 0.196994 0.751382 S\n0.750000 0.803006 0.248618 S\n",
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{
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"structure_string": "Mn4 P8 O28\n1.0\n7.964874 0.000000 0.000000\n0.000000 7.185114 0.000000\n0.000000 3.217642 8.686828\nMn P O\n4 8 28\ndirect\n0.994904 0.732678 0.246250 Mn\n0.494904 0.267322 0.253750 Mn\n0.505096 0.732678 0.746250 Mn\n0.005096 0.267322 0.753750 Mn\n0.300713 0.674630 0.053822 P\n0.800713 0.325370 0.446178 P\n0.760495 0.924102 0.944927 P\n0.260495 0.075898 0.555073 P\n0.739505 0.924102 0.444927 P\n0.239505 0.075898 0.055073 P\n0.199287 0.674630 0.553822 P\n0.699287 0.325370 0.946178 P\n0.352830 0.890677 0.055597 O\n0.805039 0.803823 0.112197 O\n0.113964 0.646817 0.099710 O\n0.922693 0.461221 0.330571 O\n0.815839 0.326419 0.611288 O\n0.422693 0.538779 0.169429 O\n0.613964 0.353183 0.400290 O\n0.143369 0.207097 0.607234 O\n0.915042 0.002920 0.841514 O\n0.305039 0.196177 0.387803 O\n0.684161 0.326419 0.111288 O\n0.852830 0.109323 0.444403 O\n0.415042 0.997080 0.658486 O\n0.356631 0.207097 0.107234 O\n0.643369 0.792903 0.892766 O\n0.584958 0.002920 0.341514 O\n0.147170 0.890677 0.555597 O\n0.315839 0.673581 0.888712 O\n0.694961 0.803823 0.612197 O\n0.084958 0.997080 0.158486 O\n0.856631 0.792903 0.392766 O\n0.386036 0.646817 0.599710 O\n0.577307 0.461221 0.830571 O\n0.184161 0.673581 0.388712 O\n0.077307 0.538779 0.669429 O\n0.886036 0.353183 0.900290 O\n0.194961 0.196177 0.887803 O\n0.647170 0.109323 0.944403 O\n",
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{
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}