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"structure_string": "Ba1 Mg6 C1\n1.0\n8.006859 0.052840 0.000000\n-3.957669 6.960563 0.000000\n0.000000 0.000000 3.467865\nBa Mg C\n1 6 1\ndirect\n0.152314 0.347686 0.250000 Ba\n0.202273 0.956170 0.250000 Mg\n0.543830 0.297726 0.250000 Mg\n0.713584 0.786416 0.250000 Mg\n0.367523 0.790436 0.750001 Mg\n0.709563 0.132477 0.750001 Mg\n0.912791 0.587208 0.750001 Mg\n0.398121 0.101879 0.750001 C\n",
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"structure_string": "Ba1 Mg6 C1\n1.0\n10.330956 2.657858 0.000000\n-2.863706 4.960084 0.000000\n0.000000 0.000000 3.576796\nBa Mg C\n1 6 1\ndirect\n0.073939 0.286969 0.250000 Ba\n0.585514 0.290469 0.250000 Mg\n0.585514 0.795044 0.250000 Mg\n0.356986 0.159148 0.750001 Mg\n0.356986 0.697839 0.750001 Mg\n0.782363 0.141183 0.750001 Mg\n0.847867 0.673933 0.750001 Mg\n0.410831 0.955415 0.250000 C\n",
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"structure_string": "Hf1 Mg6 Mo1\n1.0\n6.337719 -0.146445 0.000000\n-3.295685 5.415403 0.000000\n0.000000 0.000000 4.881931\nHf Mg Mo\n1 6 1\ndirect\n0.301624 0.198376 0.750000 Hf\n0.179865 0.828439 0.250000 Mg\n0.671560 0.320133 0.250000 Mg\n0.674414 0.825584 0.250000 Mg\n0.316228 0.672066 0.750000 Mg\n0.827933 0.183770 0.750000 Mg\n0.830313 0.669685 0.750000 Mg\n0.198059 0.301941 0.250000 Mo\n",
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"structure_string": "Mg6 Ga1 Mo1\n1.0\n6.127082 0.145930 0.000000\n-2.937162 5.087313 0.000000\n0.000000 0.000000 4.915442\nMg Ga Mo\n6 1 1\ndirect\n0.656673 0.327307 0.250000 Mg\n0.656673 0.829365 0.250000 Mg\n0.333293 0.177321 0.750000 Mg\n0.333293 0.655973 0.750000 Mg\n0.854880 0.177441 0.750000 Mg\n0.850918 0.675460 0.750000 Mg\n0.161284 0.830641 0.250000 Ga\n0.152984 0.326491 0.250000 Mo\n",
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"structure_string": "Mg6 Cr1 B1\n1.0\n6.771141 1.508280 0.000000\n-2.079361 6.618119 0.000000\n0.000000 0.000000 3.263100\nMg Cr B\n6 1 1\ndirect\n0.216177 0.954970 0.250000 Mg\n0.545030 0.283823 0.250000 Mg\n0.658867 0.841133 0.250000 Mg\n0.363107 0.607220 0.750000 Mg\n0.892780 0.136893 0.750000 Mg\n0.911413 0.588587 0.750000 Mg\n0.148763 0.351237 0.250000 Cr\n0.263863 0.236137 0.750000 B\n",
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{
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"structure_string": "Ca4 Cu4 O8\n1.0\n3.862080 0.055655 -0.070601\n-0.615029 6.931492 0.452063\n-1.602343 -1.648001 7.364589\nCa Cu O\n4 4 8\ndirect\n0.894351 0.134798 0.306632 Ca\n0.085414 0.842563 0.701515 Ca\n0.766813 0.714928 0.024973 Ca\n0.212935 0.262446 -0.016829 Ca\n0.602852 0.151957 0.650821 Cu\n0.287224 0.452212 0.639204 Cu\n0.692581 0.525150 0.368951 Cu\n0.376980 0.825414 0.357325 Cu\n0.875197 0.800356 0.351883 O\n0.792960 0.397917 0.147479 O\n0.186798 0.579443 0.860666 O\n0.104616 0.177008 0.656264 O\n0.683679 0.012682 0.851092 O\n0.486693 0.299306 0.452258 O\n0.296106 0.964683 0.157056 O\n0.493088 0.678059 0.555889 O\n",
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"structure_string": "Mg6 Mo1 C1\n1.0\n7.179166 1.578486 0.000000\n-2.222574 7.006582 0.000000\n0.000000 0.000000 3.200074\nMg Mo C\n6 1 1\ndirect\n0.233843 0.913207 0.250000 Mg\n0.586793 0.266158 0.250000 Mg\n0.656767 0.843233 0.250000 Mg\n0.385985 0.581976 0.749999 Mg\n0.918025 0.114016 0.749999 Mg\n0.904891 0.595111 0.749999 Mg\n0.207560 0.292440 0.250000 Mo\n0.106142 0.393858 0.749999 C\n",
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