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{
"id": "mp-1025461",
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"structure_string": "Pr2 Br2 O4\n1.0\n4.452782 0.000000 0.000000\n0.000000 5.174501 0.000000\n0.000000 1.924709 6.530251\nPr Br O\n2 2 4\ndirect\n0.250000 0.195079 0.654915 Pr\n0.750000 0.804921 0.345085 Pr\n0.250000 0.219968 0.098625 Br\n0.750000 0.780032 0.901375 Br\n0.250000 0.751398 0.546032 O\n0.750000 0.248602 0.453968 O\n0.250000 0.616727 0.377352 O\n0.750000 0.383273 0.622648 O\n",
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{
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{
"id": "mp-1203506",
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"structure_string": "Mg8 H72 Se8 O68\n1.0\n20.184332 0.000000 0.000000\n0.000000 7.287589 0.000000\n0.000000 2.284481 10.293795\nMg H Se O\n8 72 8 68\ndirect\n0.350314 0.738535 0.476861 Mg\n0.850314 0.761465 0.523139 Mg\n0.649686 0.261465 0.523139 Mg\n0.149686 0.238535 0.476861 Mg\n0.379248 0.755796 0.983911 Mg\n0.879248 0.744204 0.016089 Mg\n0.620752 0.244204 0.016089 Mg\n0.120752 0.255796 0.983911 Mg\n0.405567 0.044199 0.553428 H\n0.905567 0.455801 0.446572 H\n0.594433 0.955801 0.446572 H\n0.094433 0.544199 0.553428 H\n0.309944 0.443824 0.096191 H\n0.809944 0.056176 0.903809 H\n0.690056 0.556176 0.903809 H\n0.190056 0.943824 0.096191 H\n0.305612 0.071970 0.871890 H\n0.805612 0.428030 0.128110 H\n0.694388 0.928030 0.128110 H\n0.194388 0.571970 0.871890 H\n0.264661 0.889082 0.865992 H\n0.764661 0.610918 0.134008 H\n0.735339 0.110918 0.134008 H\n0.235339 0.389082 0.865992 H\n0.555428 0.937245 0.149870 H\n0.055428 0.562755 0.850130 H\n0.444572 0.062755 0.850130 H\n0.944572 0.437245 0.149870 H\n0.495033 0.612253 0.106497 H\n0.995033 0.887747 0.893503 H\n0.504967 0.387747 0.893503 H\n0.004967 0.112253 0.106497 H\n0.426812 0.354755 0.481718 H\n0.926812 0.145245 0.518282 H\n0.573188 0.645245 0.518282 H\n0.073188 0.854755 0.481718 H\n0.448942 0.230634 0.383004 H\n0.948942 0.269366 0.616996 H\n0.551058 0.769366 0.616996 H\n0.051058 0.730634 0.383004 H\n0.442999 0.443401 0.125445 H\n0.942999 0.056599 0.874555 H\n0.557001 0.556599 0.874555 H\n0.057001 0.943401 0.125445 H\n0.266544 0.519255 0.367977 H\n0.766544 0.980745 0.632023 H\n0.733456 0.480745 0.632023 H\n0.233456 0.019255 0.367977 H\n0.320955 0.584385 0.264713 H\n0.820955 0.915615 0.735287 H\n0.679045 0.415615 0.735287 H\n0.179045 0.084385 0.264713 H\n0.262636 0.622523 0.091066 H\n0.762636 0.877477 0.908934 H\n0.737364 0.377477 0.908934 H\n0.237364 0.122523 0.091066 H\n0.482232 0.747444 0.423853 H\n0.982232 0.752556 0.576147 H\n0.517768 0.252556 0.576147 H\n0.017768 0.247444 0.423853 H\n0.238285 0.768750 0.639257 H\n0.738285 0.731250 0.360743 H\n0.761715 0.231250 0.360743 H\n0.261715 0.268750 0.639257 H\n0.389916 0.885370 0.680867 H\n0.889916 0.614630 0.319133 H\n0.610084 0.114630 0.319133 H\n0.110084 0.385370 0.680867 H\n0.219032 0.649457 0.539345 H\n0.719032 0.850543 0.460655 H\n0.780968 0.350543 0.460655 H\n0.280968 0.149457 0.539345 H\n0.442554 0.763550 0.287670 H\n0.942554 0.736450 0.712330 H\n0.557446 0.236450 0.712330 H\n0.057446 0.263550 0.287670 H\n0.508479 0.113358 0.159383 H\n0.008479 0.386642 0.840617 H\n0.491521 0.886642 0.840617 H\n0.991521 0.613358 0.159383 H\n0.366366 0.078154 0.197282 Se\n0.866366 0.421846 0.802718 Se\n0.633634 0.921846 0.802718 Se\n0.133634 0.578154 0.197282 Se\n0.372131 0.432019 0.765911 Se\n0.872131 0.067981 0.234089 Se\n0.627869 0.567981 0.234089 Se\n0.127869 0.932019 0.765911 Se\n0.313953 0.214040 0.095638 O\n0.813953 0.285960 0.904362 O\n0.686047 0.785960 0.904362 O\n0.186047 0.714040 0.095638 O\n0.389733 0.507466 0.608163 O\n0.889733 0.992534 0.391837 O\n0.610267 0.492534 0.391837 O\n0.110267 0.007466 0.608163 O\n0.433103 0.206053 0.221289 O\n0.933103 0.293947 0.778711 O\n0.566897 0.793947 0.778711 O\n0.066897 0.706053 0.221289 O\n0.326973 0.993303 0.338163 O\n0.826973 0.506697 0.661837 O\n0.673027 0.006697 0.661837 O\n0.173027 0.493303 0.338163 O\n0.301309 0.305055 0.779797 O\n0.801309 0.194945 0.220203 O\n0.698691 0.694945 0.220203 O\n0.198691 0.805055 0.779797 O\n0.554131 0.076326 0.141885 O\n0.054131 0.423674 0.858115 O\n0.445869 0.923674 0.858115 O\n0.945869 0.576326 0.141885 O\n0.433697 0.295946 0.840020 O\n0.933698 0.204054 0.159980 O\n0.566303 0.704054 0.159980 O\n0.066303 0.795946 0.840020 O\n0.395028 0.899077 0.137498 O\n0.895028 0.600923 0.862502 O\n0.604972 0.100923 0.862502 O\n0.104972 0.399077 0.137498 O\n0.377333 0.931788 0.589772 O\n0.877333 0.568212 0.410228 O\n0.622667 0.068212 0.410228 O\n0.122667 0.431788 0.589772 O\n0.309838 0.579810 0.100307 O\n0.809838 0.920190 0.899693 O\n0.690162 0.420190 0.899693 O\n0.190162 0.079810 0.100307 O\n0.361084 0.618688 0.830140 O\n0.861084 0.881312 0.169860 O\n0.638916 0.381312 0.169860 O\n0.138916 0.118688 0.830140 O\n0.302128 0.935461 0.911046 O\n0.802128 0.564539 0.088954 O\n0.697872 0.064539 0.088954 O\n0.197872 0.435461 0.911046 O\n0.450253 0.575907 0.081240 O\n0.950253 0.924093 0.918760 O\n0.549747 0.424093 0.918760 O\n0.049747 0.075907 0.081240 O\n0.312336 0.566286 0.359625 O\n0.812336 0.933714 0.640375 O\n0.687664 0.433714 0.640375 O\n0.187664 0.066286 0.359625 O\n0.440005 0.722343 0.382899 O\n0.940005 0.777657 0.617101 O\n0.559995 0.277657 0.617101 O\n0.059995 0.222343 0.382899 O\n0.449426 0.237048 0.476294 O\n0.949426 0.262952 0.523706 O\n0.550574 0.762952 0.523706 O\n0.050574 0.737048 0.476294 O\n0.254826 0.727368 0.560751 O\n0.754826 0.772632 0.439249 O\n0.745174 0.272632 0.439249 O\n0.245174 0.227368 0.560751 O\n",
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{
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{
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{
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{
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"structure_string": "Pr12 Si5 Se28\n1.0\n-10.699820 0.000000 0.000000\n-0.001260 -12.151417 0.000000\n5.349160 6.069315 9.252383\nPr Si Se\n12 5 28\ndirect\n0.125077 0.305664 0.347346 Pr\n0.130314 0.796272 0.365602 Pr\n0.635704 0.494822 0.762315 Pr\n0.652580 0.021190 0.779595 Pr\n0.232297 0.549169 0.869237 Pr\n0.224185 0.069365 0.875444 Pr\n0.863791 0.695771 0.632932 Pr\n0.878979 0.191736 0.654440 Pr\n0.346900 0.478172 0.224388 Pr\n0.365166 0.993531 0.230497 Pr\n0.776929 0.426376 0.122474 Pr\n0.766941 0.945260 0.133115 Pr\n0.336995 0.747919 0.669291 Si\n0.329868 0.245527 0.664699 Si\n0.667198 0.333157 0.333514 Si\n0.666324 0.831435 0.333340 Si\n0.999676 0.736250 0.000527 Si\n0.333466 0.560446 0.666307 Se\n0.334004 0.061046 0.667433 Se\n0.659752 0.639444 0.320791 Se\n0.673895 0.152970 0.345974 Se\n0.478032 0.936338 0.895027 Se\n0.480241 0.432436 0.891858 Se\n0.112975 0.786813 0.599064 Se\n0.101756 0.274793 0.574539 Se\n0.426572 0.752630 0.530486 Se\n0.400413 0.243021 0.511168 Se\n0.523365 0.294244 0.108222 Se\n0.520719 0.791185 0.105122 Se\n0.894252 0.448597 0.418229 Se\n0.892618 0.944955 0.412333 Se\n0.586054 0.480132 0.479834 Se\n0.582865 0.975932 0.475717 Se\n0.234532 0.701248 0.152843 Se\n0.259500 0.197180 0.165957 Se\n0.847670 0.665882 0.081443 Se\n0.834609 0.160531 0.093640 Se\n0.907124 0.984365 0.740737 Se\n0.917627 0.508222 0.765600 Se\n0.740220 0.281960 0.830528 Se\n0.771202 0.774875 0.855990 Se\n0.168797 0.321447 0.908076 Se\n0.141940 0.803968 0.914956 Se\n0.083848 0.959268 0.227033 Se\n0.093030 0.499458 0.262335 Se\n",
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"formula_full": "Pr12 Si5 Se28",
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{
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"structure_string": "Mg8 Al16 O32\n1.0\n2.878852 4.996302 0.000000\n-2.878852 4.996302 0.000000\n0.000000 3.362949 18.911582\nMg Al O\n8 16 32\ndirect\n0.844327 0.844327 0.966334 Mg\n0.594918 0.594918 0.714308 Mg\n0.250933 0.250933 0.747392 Mg\n0.873036 0.873036 0.375872 Mg\n0.094297 0.094297 0.222419 Mg\n0.654056 0.654056 0.533240 Mg\n0.500187 0.500187 0.998685 Mg\n0.403585 0.403585 0.278491 Mg\n0.379615 0.379615 0.875299 Al\n0.865605 0.379493 0.875311 Al\n0.379493 0.865605 0.875311 Al\n0.126007 0.126007 0.625087 Al\n0.623428 0.125516 0.624913 Al\n0.348698 0.348698 0.468844 Al\n0.125516 0.623428 0.624913 Al\n0.382121 0.871598 0.374842 Al\n0.904618 0.904618 0.786298 Al\n0.999825 0.999825 0.502953 Al\n0.871598 0.382121 0.374842 Al\n0.627344 0.627344 0.125296 Al\n0.119160 0.627723 0.125677 Al\n0.748647 0.748647 0.251069 Al\n0.627723 0.119160 0.125677 Al\n0.155875 0.155875 0.032715 Al\n0.676669 0.217343 0.929189 O\n0.560485 0.560485 0.819016 O\n0.217343 0.676669 0.929189 O\n0.676546 0.676546 0.929236 O\n0.427594 0.969041 0.676135 O\n0.067848 0.067848 0.817916 O\n0.546380 0.068043 0.818004 O\n0.188838 0.188838 0.933424 O\n0.969041 0.427594 0.676135 O\n0.312092 0.312092 0.563932 O\n0.427326 0.427326 0.676000 O\n0.068043 0.546380 0.818004 O\n0.189428 0.706784 0.441034 O\n0.831293 0.831293 0.566993 O\n0.268746 0.832664 0.567947 O\n0.936957 0.936957 0.688034 O\n0.706784 0.189428 0.441034 O\n0.067674 0.067674 0.326922 O\n0.832664 0.268746 0.567947 O\n0.182353 0.182353 0.438633 O\n0.918495 0.475180 0.183969 O\n0.574327 0.574327 0.315765 O\n0.680617 0.680617 0.429426 O\n0.810021 0.810021 0.071870 O\n0.475180 0.918495 0.183969 O\n0.026137 0.565494 0.312228 O\n0.920495 0.920495 0.185000 O\n0.565494 0.026137 0.312228 O\n0.313895 0.313895 0.067540 O\n0.804418 0.314102 0.067430 O\n0.442103 0.442103 0.172632 O\n0.314102 0.804418 0.067430 O\n",
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}