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{
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"formula_full": "Cd6 H72 C20 N10 Cl22",
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},
{
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{
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"structure_string": "Li12 Co6 Cl24\n1.0\n7.222949 0.000000 0.000000\n3.456799 6.436587 0.000000\n0.209692 0.148577 17.769707\nLi Co Cl\n12 6 24\ndirect\n0.446615 0.781694 0.818478 Li\n0.502884 0.990071 0.002035 Li\n0.330502 0.331695 0.831619 Li\n0.112125 0.448419 0.485658 Li\n0.995533 0.004051 0.499722 Li\n0.161625 0.171681 0.666822 Li\n0.775432 0.105941 0.152938 Li\n0.885265 0.235570 0.847412 Li\n0.829128 0.837374 0.333376 Li\n0.660918 0.675781 0.167694 Li\n0.551347 0.890197 0.515016 Li\n0.212813 0.570835 0.178795 Li\n0.011410 0.495143 0.998014 Co\n0.497577 0.502665 0.999984 Co\n0.680984 0.163140 0.664127 Co\n0.347475 0.827624 0.330897 Co\n0.171562 0.654497 0.668609 Co\n0.836731 0.320147 0.335476 Co\n0.677891 0.649665 0.922572 Cl\n0.496031 0.026207 0.745266 Cl\n0.640049 0.199704 0.922726 Cl\n0.344015 0.334962 0.590632 Cl\n0.492191 0.492076 0.742941 Cl\n0.169230 0.182739 0.920975 Cl\n0.161170 0.693332 0.410836 Cl\n0.306409 0.837325 0.588892 Cl\n0.025449 0.496571 0.745738 Cl\n0.186679 0.644503 0.925074 Cl\n0.162210 0.156310 0.410394 Cl\n0.010660 0.002636 0.256684 Cl\n0.842943 0.837835 0.589652 Cl\n0.993108 0.993932 0.743070 Cl\n0.816410 0.353994 0.074335 Cl\n0.973756 0.501750 0.255051 Cl\n0.691323 0.161201 0.412243 Cl\n0.841147 0.307625 0.588337 Cl\n0.842751 0.805962 0.080737 Cl\n0.510348 0.504477 0.257241 Cl\n0.660250 0.660799 0.409447 Cl\n0.354881 0.791715 0.080621 Cl\n0.506569 0.975147 0.253882 Cl\n0.330603 0.337008 0.075985 Cl\n",
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{
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{
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"structure_string": "Na18 Yb6 Si12 O42\n1.0\n4.772233 -8.265750 0.000000\n4.772233 8.265750 0.000000\n0.000000 0.000000 13.966127\nNa Yb Si O\n18 6 12 42\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n0.333333 0.666667 0.750000 Na\n0.666667 0.333333 0.250000 Na\n0.336618 0.318072 0.584156 Na\n0.681928 0.018546 0.584156 Na\n0.981454 0.663382 0.584156 Na\n0.663382 0.681928 0.084156 Na\n0.318072 0.981454 0.084156 Na\n0.018546 0.336618 0.084156 Na\n0.663382 0.681928 0.415844 Na\n0.318072 0.981454 0.415844 Na\n0.018546 0.336618 0.415844 Na\n0.336618 0.318072 0.915844 Na\n0.681928 0.018546 0.915844 Na\n0.981454 0.663382 0.915844 Na\n0.000000 0.000000 0.750000 Yb\n0.000000 0.000000 0.250000 Yb\n0.333333 0.666667 0.480325 Yb\n0.666667 0.333333 0.980325 Yb\n0.666667 0.333333 0.519675 Yb\n0.333333 0.666667 0.019675 Yb\n0.327146 0.981415 0.641715 Si\n0.018585 0.345732 0.641715 Si\n0.654268 0.672854 0.641715 Si\n0.672854 0.018585 0.141715 Si\n0.981415 0.654268 0.141715 Si\n0.345732 0.327146 0.141715 Si\n0.672854 0.018585 0.358285 Si\n0.981415 0.654268 0.358285 Si\n0.345732 0.327146 0.358285 Si\n0.327146 0.981415 0.858285 Si\n0.018585 0.345732 0.858285 Si\n0.654268 0.672854 0.858285 Si\n0.267416 0.834073 0.564216 O\n0.165927 0.433343 0.564216 O\n0.566657 0.732584 0.564216 O\n0.732584 0.165927 0.064216 O\n0.834073 0.566657 0.064216 O\n0.433343 0.267416 0.064216 O\n0.732584 0.165927 0.435784 O\n0.834073 0.566657 0.435784 O\n0.433343 0.267416 0.435784 O\n0.267416 0.834073 0.935784 O\n0.165927 0.433343 0.935784 O\n0.566657 0.732584 0.935784 O\n0.204938 0.054855 0.637342 O\n0.945145 0.150083 0.637342 O\n0.849917 0.795062 0.637342 O\n0.795062 0.945145 0.137342 O\n0.054855 0.849917 0.137342 O\n0.150083 0.204938 0.137342 O\n0.795062 0.945145 0.362658 O\n0.054855 0.849917 0.362658 O\n0.150083 0.204938 0.362658 O\n0.204938 0.054855 0.862658 O\n0.945145 0.150083 0.862658 O\n0.849917 0.795062 0.862658 O\n0.514566 0.120628 0.624174 O\n0.879372 0.393939 0.624174 O\n0.606061 0.485434 0.624174 O\n0.485434 0.879372 0.124174 O\n0.120628 0.606061 0.124174 O\n0.393939 0.514566 0.124174 O\n0.485434 0.879372 0.375826 O\n0.120628 0.606061 0.375826 O\n0.393939 0.514566 0.375826 O\n0.514566 0.120628 0.875826 O\n0.879372 0.393939 0.875826 O\n0.606061 0.485434 0.875826 O\n0.309778 0.895339 0.750000 O\n0.104661 0.414439 0.750000 O\n0.585561 0.690222 0.750000 O\n0.690222 0.104661 0.250000 O\n0.895339 0.585561 0.250000 O\n0.414439 0.309778 0.250000 O\n",
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}