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"structure_string": "Nb6 Se10 Br14\n1.0\n13.182626 0.000000 0.000000\n-0.000000 7.355514 2.397674\n0.000000 -0.337809 8.426090\nNb Se Br\n6 10 14\ndirect\n0.393184 0.519287 0.442396 Nb\n0.606816 0.480712 0.557604 Nb\n0.893184 0.480712 0.557604 Nb\n0.106816 0.519287 0.442396 Nb\n0.250000 0.898442 0.012677 Nb\n0.750000 0.101557 0.987323 Nb\n0.025947 0.697454 0.641292 Se\n0.525947 0.302545 0.358707 Se\n0.474053 0.697454 0.641292 Se\n0.529356 0.782719 0.366323 Se\n0.974053 0.302545 0.358707 Se\n0.029356 0.217281 0.633677 Se\n0.970644 0.782719 0.366323 Se\n0.750000 0.077772 0.264396 Se\n0.250000 0.922227 0.735604 Se\n0.470644 0.217281 0.633677 Se\n0.750000 0.700061 0.638728 Br\n0.250000 0.299938 0.361272 Br\n0.750000 0.203387 0.631276 Br\n0.250000 0.796612 0.368723 Br\n0.113154 0.115894 0.036096 Br\n0.886847 0.884105 0.963904 Br\n0.386846 0.115894 0.036096 Br\n0.113868 0.627858 0.091008 Br\n0.886132 0.372141 0.908992 Br\n0.613869 0.372141 0.908992 Br\n0.386132 0.627858 0.091008 Br\n0.250000 0.448396 0.694577 Br\n0.613154 0.884105 0.963904 Br\n0.750000 0.551603 0.305423 Br\n",
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{
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"structure_string": "Fe3 P1 O7\n1.0\n5.109491 0.003951 -1.066358\n-1.312663 4.937997 -1.066358\n0.003035 0.003951 5.219578\nFe P O\n3 1 7\ndirect\n0.544296 0.544296 0.151921 Fe\n0.151922 0.544296 0.544295 Fe\n0.544296 0.151921 0.544295 Fe\n0.004169 0.004170 0.004170 P\n0.146692 0.833197 0.833198 O\n0.833199 0.833197 0.146690 O\n0.833199 0.146690 0.833198 O\n0.770208 0.389739 0.389738 O\n0.230544 0.230544 0.230542 O\n0.389742 0.389739 0.770208 O\n0.389741 0.770208 0.389740 O\n",
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{
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"structure_string": "Li4 Ce4 Si6\n1.0\n9.442999 -0.002492 0.000000\n-8.413666 4.287243 0.000000\n0.000000 0.000000 6.730950\nLi Ce Si\n4 4 6\ndirect\n0.811130 0.188870 0.561255 Li\n0.188869 0.811130 0.438745 Li\n0.188869 0.811130 0.061255 Li\n0.811130 0.188870 0.938745 Li\n0.550870 0.449129 0.250000 Ce\n0.449129 0.550870 0.750000 Ce\n0.343033 0.656967 0.250000 Ce\n0.656967 0.343033 0.750000 Ce\n0.940752 0.059249 0.072050 Si\n0.059248 0.940751 0.927950 Si\n0.059248 0.940751 0.572050 Si\n0.940752 0.059249 0.427950 Si\n0.719973 0.280027 0.250000 Si\n0.280026 0.719973 0.750000 Si\n",
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"structure_string": "Lu2 Co8 Ge4\n1.0\n7.183801 -0.000000 0.000000\n0.000000 7.183801 0.000000\n-0.000000 -0.000000 3.673025\nLu Co Ge\n2 8 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500001 Lu\n0.580429 0.148498 -0.000000 Co\n0.419570 0.851502 -0.000000 Co\n0.648498 0.919570 0.500001 Co\n0.080429 0.351502 0.500001 Co\n0.351502 0.080429 0.500001 Co\n0.919570 0.648498 0.500001 Co\n0.148498 0.580429 -0.000000 Co\n0.851502 0.419570 -0.000000 Co\n0.277829 0.277829 -0.000000 Ge\n0.722171 0.722171 -0.000000 Ge\n0.777829 0.222171 0.500001 Ge\n0.222171 0.777829 0.500001 Ge\n",
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"structure_string": "Lu4 Al18 Ir6\n1.0\n7.503671 0.001573 0.000000\n-3.706027 6.524603 0.000000\n0.000000 -0.000000 9.420392\nLu Al Ir\n4 18 6\ndirect\n0.995775 0.672120 0.250000 Lu\n0.004224 0.327879 0.750000 Lu\n0.672120 0.995775 0.250000 Lu\n0.327879 0.004224 0.750000 Lu\n0.450389 0.660658 0.750000 Al\n0.549610 0.339341 0.250000 Al\n0.660658 0.450389 0.750000 Al\n0.339341 0.549610 0.250000 Al\n0.332814 0.332814 0.942969 Al\n0.667185 0.667185 0.057031 Al\n0.667185 0.667185 0.442969 Al\n0.332814 0.332814 0.557030 Al\n0.335369 0.000474 0.075787 Al\n0.664630 0.999525 0.575787 Al\n0.000474 0.335369 0.424213 Al\n0.335369 0.000474 0.424213 Al\n0.999525 0.664630 0.575787 Al\n0.999525 0.664630 0.924213 Al\n0.000474 0.335369 0.075787 Al\n0.871364 0.871364 0.750000 Al\n0.128635 0.128635 0.250000 Al\n0.664630 0.999525 0.924213 Al\n0.000000 0.000000 0.000000 Ir\n0.672275 0.327724 -0.000000 Ir\n0.327724 0.672275 -0.000000 Ir\n0.327724 0.672275 0.500000 Ir\n0.672275 0.327724 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
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"structure_string": "Li2 S2 O8\n1.0\n5.086695 -0.000000 0.000000\n-2.543347 4.405207 0.000000\n-0.000000 -0.000000 9.026948\nLi S O\n2 2 8\ndirect\n0.666666 0.333334 0.171690 Li\n0.333333 0.666667 0.671690 Li\n0.666666 0.333334 0.797959 S\n0.333333 0.666667 0.297959 S\n0.949980 0.350779 0.745157 O\n0.400797 0.050019 0.745157 O\n0.050019 0.649222 0.245157 O\n0.649221 0.599203 0.745157 O\n0.599202 0.949982 0.245157 O\n0.350778 0.400798 0.245157 O\n0.666666 0.333334 0.961779 O\n0.333333 0.666667 0.461778 O\n",
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"structure_string": "Ho12 In2 Co4\n1.0\n7.777421 0.031586 -2.787503\n-3.656741 6.729700 -3.098197\n0.041641 -0.031586 8.261762\nHo In Co\n12 2 4\ndirect\n0.323545 0.634889 0.311344 Ho\n0.970201 0.763631 0.206571 Ho\n0.029799 0.236369 0.793429 Ho\n0.557060 0.763630 0.793429 Ho\n0.814854 0.285656 0.100510 Ho\n0.185146 0.714344 0.899490 Ho\n0.442940 0.236370 0.206571 Ho\n0.185146 0.285656 0.470802 Ho\n0.676455 0.987801 0.311344 Ho\n0.323545 0.012199 0.688655 Ho\n0.676455 0.365111 0.688656 Ho\n0.814854 0.714344 0.529198 Ho\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.341738 0.000000 0.341738 Co\n0.114281 0.614281 0.500000 Co\n0.885718 0.385719 0.500000 Co\n0.658262 0.000000 0.658262 Co\n",
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}