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"structure_string": "Ca2 Mn2 Si2\n1.0\n3.971063 0.000000 0.000000\n0.000000 3.971063 0.000000\n0.000000 0.000000 7.383363\nCa Mn Si\n2 2 2\ndirect\n0.000000 0.500000 0.329858 Ca\n0.500000 0.000000 0.670141 Ca\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.815048 Si\n0.500000 0.000000 0.184951 Si\n",
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"structure_string": "Nd12 S12 N4\n1.0\n4.029211 0.000000 0.000000\n0.000000 12.221542 0.000000\n0.000000 0.000000 13.104488\nNd S N\n12 12 4\ndirect\n0.750000 0.277134 0.366364 Nd\n0.750000 0.416752 0.127021 Nd\n0.750000 0.959255 0.851574 Nd\n0.250000 0.583248 0.872979 Nd\n0.250000 0.222865 0.866364 Nd\n0.750000 0.777134 0.133636 Nd\n0.750000 0.916751 0.372979 Nd\n0.250000 0.083248 0.627022 Nd\n0.250000 0.722865 0.633636 Nd\n0.250000 0.540745 0.351573 Nd\n0.750000 0.459255 0.648427 Nd\n0.250000 0.040745 0.148427 Nd\n0.250000 0.582419 0.106540 S\n0.250000 0.082419 0.393460 S\n0.250000 0.769234 0.302782 S\n0.250000 0.360360 0.497021 S\n0.750000 0.417581 0.893460 S\n0.250000 0.860359 0.002979 S\n0.250000 0.269234 0.197218 S\n0.750000 0.139640 0.997021 S\n0.750000 0.917581 0.606540 S\n0.750000 0.730765 0.802782 S\n0.750000 0.230766 0.697218 S\n0.750000 0.639640 0.502979 S\n0.750000 0.453953 0.298006 N\n0.250000 0.046047 0.798006 N\n0.250000 0.546047 0.701994 N\n0.750000 0.953953 0.201994 N\n",
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