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"structure_string": "Ca2 Mg1 Al1\n1.0\n-16.604613 1.737177 -6.749324\n-10.056560 0.122917 -1.258528\n-8.801888 3.671910 -3.431803\nCa Mg Al\n2 1 1\ndirect\n0.488856 0.174131 0.174132 Ca\n0.511143 0.825869 0.825871 Ca\n0.000000 0.000000 0.000000 Mg\n0.499999 0.000000 0.000001 Al\n",
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{
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"structure_string": "H10 C14 S1\n1.0\n3.788712 -0.026151 0.643171\n1.001640 5.689407 0.199728\n0.086976 -0.038921 10.924244\nH C S\n10 14 1\ndirect\n0.150786 0.873011 0.259186 H\n0.059515 0.919231 0.679745 H\n0.534464 0.828464 0.089101 H\n0.163219 0.705575 0.068847 H\n0.412352 0.313171 0.900678 H\n0.237674 0.190305 0.545911 H\n0.530801 0.141218 0.326514 H\n0.658304 0.267952 0.677719 H\n0.822631 0.960772 0.903449 H\n0.871365 0.921097 0.476958 H\n0.781998 0.808967 0.854168 C\n0.018215 0.749541 0.444764 C\n0.910842 0.787929 0.726906 C\n0.177548 0.721079 0.320540 C\n0.035955 0.560523 0.528875 C\n0.609093 0.636480 0.919540 C\n0.700266 0.418691 0.727196 C\n0.371981 0.501855 0.275438 C\n0.563972 0.442828 0.853404 C\n0.218930 0.340036 0.482712 C\n0.554879 0.469773 0.145699 C\n0.385686 0.312022 0.360019 C\n0.458730 0.668143 0.056168 C\n0.877412 0.590481 0.661425 C\n0.856176 0.235039 0.100751 S\n",
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"structure_string": "Er2 Tl2 Zn2\n1.0\n4.693447 -0.000000 0.000000\n-2.346723 4.064484 -0.000000\n-0.000000 -0.000000 7.077797\nEr Tl Zn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Er\n0.000000 0.000000 0.000000 Er\n0.333320 0.666638 0.250000 Tl\n0.666681 0.333361 0.750000 Tl\n0.333336 0.666671 0.750000 Zn\n0.666665 0.333328 0.250000 Zn\n",
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"structure_string": "Nb1 Si1 Tc2\n1.0\n-0.000000 3.097392 3.097392\n3.097392 0.000000 3.097392\n3.097392 3.097392 -0.000000\nNb Si Tc\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.750000 Si\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Tc\n",
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