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{
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{
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"structure_string": "Ba8 Cu8 Si16 O48\n1.0\n-5.030656 5.030656 11.457504\n5.030656 -5.030656 11.457504\n5.030656 5.030656 -11.457504\nBa Cu Si O\n8 8 16 48\ndirect\n0.125000 0.138080 0.513080 Ba\n0.625000 0.611920 0.486920 Ba\n0.125000 0.638080 0.013080 Ba\n0.625000 0.111920 0.986920 Ba\n0.388080 0.875000 0.013080 Ba\n0.888080 0.875000 0.513080 Ba\n0.861920 0.375000 0.986920 Ba\n0.361920 0.375000 0.486920 Ba\n0.691554 0.691554 0.000000 Cu\n0.308446 0.308446 0.000000 Cu\n0.191554 0.191554 0.000000 Cu\n0.808446 0.808446 0.000000 Cu\n0.058446 0.558446 0.500000 Cu\n0.941554 0.441554 0.500000 Cu\n0.441554 0.941554 0.500000 Cu\n0.558446 0.058446 0.500000 Cu\n0.501730 0.724474 0.225399 Si\n0.026331 0.751730 0.277256 Si\n0.775526 0.998270 0.774601 Si\n0.999075 0.224474 0.222744 Si\n0.526331 0.249075 0.274601 Si\n0.474474 0.749075 0.722744 Si\n0.248270 0.525526 0.274601 Si\n0.275526 0.500925 0.777256 Si\n0.723669 0.498270 0.222744 Si\n0.748270 0.473669 0.722744 Si\n0.001730 0.776331 0.777256 Si\n0.499075 0.276331 0.774601 Si\n0.750925 0.025526 0.277256 Si\n0.223669 0.000925 0.225399 Si\n0.974474 0.251730 0.725399 Si\n0.250925 0.973669 0.725399 Si\n0.116708 0.344323 0.841735 O\n0.340830 0.499927 0.223994 O\n0.000073 0.159170 0.776006 O\n0.909170 0.633164 0.659097 O\n0.859644 0.360699 0.754840 O\n0.247412 0.975026 0.341735 O\n0.105859 0.860699 0.501055 O\n0.747412 0.405677 0.272386 O\n0.249927 0.525933 0.659097 O\n0.633292 0.905677 0.658265 O\n0.605859 0.104804 0.245160 O\n0.275933 0.116836 0.776006 O\n0.866836 0.590830 0.340903 O\n0.895196 0.140356 0.501055 O\n0.524974 0.252588 0.658265 O\n0.024974 0.366708 0.272386 O\n0.395196 0.894141 0.754840 O\n0.002588 0.844323 0.227614 O\n0.474067 0.133164 0.723994 O\n0.610699 0.609644 0.254840 O\n0.639301 0.394141 0.498945 O\n0.616708 0.774974 0.772386 O\n0.133292 0.475026 0.727614 O\n0.594323 0.866708 0.341735 O\n0.890356 0.889301 0.745160 O\n0.390356 0.645196 0.001055 O\n0.840830 0.616836 0.840903 O\n0.725026 0.883292 0.227614 O\n0.094323 0.752588 0.727614 O\n0.225026 0.997412 0.841735 O\n0.409170 0.750073 0.276006 O\n0.155677 0.383292 0.158265 O\n0.655677 0.497412 0.772386 O\n0.974067 0.250073 0.340903 O\n0.359644 0.604804 0.498945 O\n0.144141 0.145196 0.254840 O\n0.383164 0.224067 0.223994 O\n0.775933 0.999927 0.159097 O\n0.139301 0.640356 0.245160 O\n0.883164 0.659170 0.159097 O\n0.110699 0.855859 0.001055 O\n0.502588 0.274974 0.158265 O\n0.354804 0.355859 0.745160 O\n0.749927 0.090830 0.723994 O\n0.854804 0.109644 0.998945 O\n0.366836 0.025933 0.276006 O\n0.500073 0.724067 0.840903 O\n0.644141 0.389301 0.998945 O\n",
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},
{
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{
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"structure_string": "Li2 Fe8 O2 F14\n1.0\n5.083528 0.000000 0.000000\n0.000000 8.090789 0.000000\n0.000000 2.108942 7.811766\nLi Fe O F\n2 8 2 14\ndirect\n0.001685 0.869817 0.104909 Li\n0.501685 0.130183 0.895091 Li\n0.962927 0.548195 0.314623 Fe\n0.514069 0.898963 0.227019 Fe\n0.496064 0.193808 0.421019 Fe\n0.462927 0.451805 0.685377 Fe\n0.014069 0.101037 0.772981 Fe\n0.996064 0.806192 0.578981 Fe\n0.523304 0.682016 0.961242 Fe\n0.023304 0.317984 0.038758 Fe\n0.713860 0.716166 0.166630 O\n0.213860 0.283834 0.833370 O\n0.804828 0.316052 0.273105 F\n0.806188 0.081521 0.031093 F\n0.780051 0.584817 0.549961 F\n0.824537 0.866262 0.796687 F\n0.696303 0.464249 0.909549 F\n0.704322 0.956336 0.433953 F\n0.664017 0.215786 0.658195 F\n0.304828 0.683948 0.726895 F\n0.306188 0.918479 0.968907 F\n0.280051 0.415183 0.450039 F\n0.324537 0.133738 0.203313 F\n0.196303 0.535751 0.090451 F\n0.204322 0.043664 0.566047 F\n0.164017 0.784214 0.341805 F\n",
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{
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"structure_string": "Mg12 Nb2 Cr2\n1.0\n4.829682 0.000000 0.000000\n0.000000 6.066165 0.000000\n0.000000 0.000000 11.085390\nMg Nb Cr\n12 2 2\ndirect\n0.000000 0.256948 0.076722 Mg\n0.000000 0.743052 0.076722 Mg\n0.000000 0.000000 0.331896 Mg\n0.500000 0.739898 0.420252 Mg\n0.500000 0.260102 0.420252 Mg\n0.500000 0.000000 0.172029 Mg\n0.000000 0.756948 0.576722 Mg\n0.000000 0.243052 0.576722 Mg\n0.000000 0.500000 0.831896 Mg\n0.500000 0.239898 0.920252 Mg\n0.500000 0.760102 0.920252 Mg\n0.500000 0.500000 0.672029 Mg\n0.000000 0.500000 0.309216 Nb\n0.000000 0.000000 0.809216 Nb\n0.500000 0.500000 0.192911 Cr\n0.500000 0.000000 0.692911 Cr\n",
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