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{
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"structure_string": "Cd1 Fe3 Sn2 S8\n1.0\n-3.567005 3.704211 5.141862\n3.567005 -3.704211 5.141862\n3.567005 3.704211 -5.141862\nCd Fe Sn S\n1 3 2 8\ndirect\n0.224558 0.724558 0.500000 Cd\n0.003948 0.003948 0.000000 Fe\n0.628120 0.378250 0.750129 Fe\n0.628120 0.877991 0.249871 Fe\n0.619506 0.373566 0.245940 Sn\n0.127625 0.373566 0.754060 Sn\n0.855470 0.097552 0.242082 S\n0.855470 0.613387 0.757918 S\n0.841046 0.125413 0.715633 S\n0.409780 0.125413 0.284367 S\n0.406294 0.659008 0.252714 S\n0.406294 0.153580 0.747286 S\n0.428276 0.621884 0.806392 S\n0.815491 0.621884 0.193608 S\n",
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{
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"formula_full": "Na4 H8 Cl4 O20",
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"spacegroup": 15
},
{
"id": "mp-22968",
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"structure_string": "Na2 Cl2 O8\n1.0\n3.294525 -3.592274 0.000000\n3.294525 3.592274 0.000000\n0.000000 0.000000 7.179204\nNa Cl O\n2 2 8\ndirect\n0.663653 0.663653 0.250000 Na\n0.336347 0.336347 0.750000 Na\n0.168131 0.168131 0.250000 Cl\n0.831869 0.831869 0.750000 Cl\n0.797080 0.126662 0.750000 O\n0.202920 0.873338 0.250000 O\n0.126662 0.797080 0.750000 O\n0.873338 0.202920 0.250000 O\n0.298994 0.298994 0.085988 O\n0.701006 0.701006 0.585988 O\n0.298994 0.298994 0.414012 O\n0.701006 0.701006 0.914012 O\n",
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{
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"structure_string": "Li8 Fe8 P12 O48\n1.0\n8.664449 0.000000 0.000000\n0.000000 8.796808 0.000000\n0.000000 0.000000 12.222839\nLi Fe P O\n8 8 12 48\ndirect\n0.717032 0.222128 0.181153 Li\n0.717032 0.277872 0.818847 Li\n0.782968 0.722128 0.318847 Li\n0.782968 0.777872 0.681153 Li\n0.217032 0.222128 0.318847 Li\n0.217032 0.277872 0.681153 Li\n0.282968 0.722128 0.181153 Li\n0.282968 0.777872 0.818847 Li\n0.749243 0.459643 0.612862 Fe\n0.749243 0.040357 0.387138 Fe\n0.750757 0.540357 0.112862 Fe\n0.750757 0.959643 0.887138 Fe\n0.249243 0.040357 0.112862 Fe\n0.249243 0.459643 0.887138 Fe\n0.250757 0.540357 0.387138 Fe\n0.250757 0.959643 0.612862 Fe\n0.539604 0.750000 0.500000 P\n0.960396 0.250000 0.000000 P\n0.039604 0.750000 0.000000 P\n0.460396 0.250000 0.500000 P\n0.605684 0.893252 0.147113 P\n0.605684 0.606748 0.852887 P\n0.894316 0.106748 0.647113 P\n0.894316 0.393252 0.352887 P\n0.105684 0.606748 0.647113 P\n0.105684 0.893252 0.352887 P\n0.394316 0.106748 0.852887 P\n0.394316 0.393252 0.147113 P\n0.556678 0.142836 0.428777 O\n0.556678 0.357164 0.571223 O\n0.572797 0.395520 0.155970 O\n0.572797 0.104480 0.844030 O\n0.647011 0.662471 0.579620 O\n0.647011 0.837529 0.420380 O\n0.656223 0.933960 0.030667 O\n0.656223 0.566040 0.969333 O\n0.662173 0.732483 0.179788 O\n0.662173 0.767517 0.820212 O\n0.674584 0.013949 0.225685 O\n0.674584 0.486051 0.774315 O\n0.825416 0.513949 0.274315 O\n0.825416 0.986051 0.725685 O\n0.837827 0.267517 0.679788 O\n0.837827 0.232483 0.320212 O\n0.843777 0.066040 0.530667 O\n0.843777 0.433960 0.469333 O\n0.852989 0.337529 0.079620 O\n0.852989 0.162471 0.920380 O\n0.927203 0.604480 0.655970 O\n0.927203 0.895520 0.344030 O\n0.943322 0.642836 0.071223 O\n0.943322 0.857164 0.928777 O\n0.056678 0.142836 0.071223 O\n0.056678 0.357164 0.928777 O\n0.072797 0.104480 0.655970 O\n0.072797 0.395520 0.344030 O\n0.147011 0.837529 0.079620 O\n0.147011 0.662471 0.920380 O\n0.156223 0.566040 0.530667 O\n0.156223 0.933960 0.469333 O\n0.162173 0.732483 0.320212 O\n0.162173 0.767517 0.679788 O\n0.174584 0.013949 0.274315 O\n0.174584 0.486051 0.725685 O\n0.325416 0.513949 0.225685 O\n0.325416 0.986051 0.774315 O\n0.337827 0.232483 0.179788 O\n0.337827 0.267517 0.820212 O\n0.343777 0.066040 0.969333 O\n0.343777 0.433960 0.030667 O\n0.352989 0.162471 0.579620 O\n0.352989 0.337529 0.420380 O\n0.427203 0.604480 0.844030 O\n0.427203 0.895520 0.155970 O\n0.443322 0.642836 0.428777 O\n0.443322 0.857164 0.571223 O\n",
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"formula_full": "Li8 Fe8 P12 O48",
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{
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"structure_string": "Te4 Pb4 F24\n1.0\n13.066672 0.000000 0.000000\n0.000000 4.759239 0.000000\n0.000000 2.000829 8.458214\nTe Pb F\n4 4 24\ndirect\n0.777433 0.941684 0.971595 Te\n0.277433 0.058316 0.528405 Te\n0.222567 0.058316 0.028405 Te\n0.722567 0.941684 0.471595 Te\n0.505000 0.362608 0.808070 Pb\n0.005000 0.637392 0.691930 Pb\n0.495000 0.637392 0.191930 Pb\n0.995000 0.362608 0.308070 Pb\n0.671687 0.110558 0.635955 F\n0.171687 0.889442 0.864045 F\n0.328313 0.889442 0.364045 F\n0.828313 0.110558 0.135955 F\n0.812990 0.748257 0.662402 F\n0.312990 0.251743 0.837598 F\n0.187010 0.251743 0.337598 F\n0.687010 0.748257 0.162402 F\n0.469831 0.220444 0.084390 F\n0.969831 0.779556 0.415610 F\n0.530169 0.779556 0.915610 F\n0.030169 0.220444 0.584390 F\n0.394863 0.325911 0.455527 F\n0.894863 0.674089 0.044473 F\n0.605137 0.674089 0.544473 F\n0.105137 0.325911 0.955527 F\n0.882452 0.193017 0.843659 F\n0.382452 0.806983 0.656341 F\n0.117548 0.806983 0.156341 F\n0.617548 0.193017 0.343659 F\n0.684010 0.296757 0.935927 F\n0.184010 0.703243 0.564073 F\n0.315990 0.703243 0.064073 F\n0.815990 0.296757 0.435927 F\n",
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{
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"structure_string": "Gd2 Ge1 Mo1 O8\n1.0\n-2.598245 2.598245 5.648624\n2.598245 -2.598245 5.648624\n2.598245 2.598245 -5.648624\nGd Ge Mo O\n2 1 1 8\ndirect\n0.750000 0.250000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n0.250000 0.750000 0.500000 Ge\n0.000000 0.000000 0.000000 Mo\n0.407581 0.500764 0.579090 O\n0.921674 0.828491 0.420910 O\n0.072041 0.177680 0.411765 O\n0.765916 0.660276 0.588235 O\n0.822320 0.234084 0.894360 O\n0.339724 0.927959 0.105640 O\n0.171509 0.592419 0.093184 O\n0.499236 0.078326 0.906816 O\n",
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{
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{
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{
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