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{
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{
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{
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"structure_string": "Tb5 Se2 Cl3 O10\n1.0\n2.754974 6.141194 0.000000\n-2.754974 6.141194 0.000000\n0.000000 0.171402 9.906182\nTb Se Cl O\n5 2 3 10\ndirect\n0.786295 0.786295 0.103217 Tb\n0.098721 0.098721 0.234297 Tb\n0.901279 0.901279 0.765703 Tb\n0.500000 0.500000 0.000000 Tb\n0.213705 0.213705 0.896783 Tb\n0.592390 0.592390 0.683859 Se\n0.407610 0.407610 0.316141 Se\n0.336584 0.336584 0.649525 Cl\n0.663416 0.663416 0.350475 Cl\n0.000000 0.000000 0.500000 Cl\n0.610006 0.101612 0.941172 O\n0.205558 0.683055 0.204180 O\n0.683055 0.205558 0.204180 O\n0.898388 0.389994 0.058828 O\n0.316945 0.794442 0.795820 O\n0.389994 0.898388 0.058828 O\n0.794442 0.316945 0.795820 O\n0.273360 0.273360 0.284100 O\n0.726640 0.726640 0.715900 O\n0.101612 0.610006 0.941172 O\n",
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{
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"structure_string": "Sb2 H48 C12 N6 Cl12\n1.0\n9.587079 0.000000 0.000000\n2.282320 9.985510 0.000000\n2.387868 4.342467 10.093032\nSb H C N Cl\n2 48 12 6 12\ndirect\n0.173111 0.485694 0.348889 Sb\n0.826889 0.514306 0.651111 Sb\n0.701671 0.348161 0.357051 H\n0.298329 0.651839 0.642949 H\n0.574527 0.497541 0.328915 H\n0.425473 0.502459 0.671085 H\n0.748047 0.511475 0.320332 H\n0.251953 0.488525 0.679668 H\n0.120711 0.873064 0.422523 H\n0.879289 0.126936 0.577477 H\n0.001466 0.838608 0.351399 H\n0.998534 0.161392 0.648601 H\n0.962210 0.984319 0.388791 H\n0.037790 0.015681 0.611209 H\n0.529676 0.114114 0.578690 H\n0.470324 0.885886 0.421310 H\n0.359584 0.167743 0.642672 H\n0.640416 0.832257 0.357328 H\n0.398265 0.010117 0.624143 H\n0.601735 0.989883 0.375857 H\n0.821065 0.441200 0.136032 H\n0.178935 0.558800 0.863968 H\n0.640585 0.414795 0.146106 H\n0.359415 0.585205 0.853894 H\n0.700137 0.646670 0.960801 H\n0.299863 0.353330 0.039199 H\n0.731883 0.712345 0.074536 H\n0.268117 0.287655 0.925464 H\n0.555378 0.681661 0.077514 H\n0.444622 0.318339 0.922486 H\n0.171149 0.085307 0.236501 H\n0.828851 0.914693 0.763499 H\n0.202078 0.933445 0.189985 H\n0.797922 0.066555 0.810015 H\n0.063875 0.148888 0.024516 H\n0.936125 0.851112 0.975484 H\n0.926929 0.163694 0.153663 H\n0.073071 0.836306 0.846337 H\n0.958384 0.007176 0.114954 H\n0.041616 0.992824 0.885046 H\n0.575624 0.916725 0.779495 H\n0.424376 0.083275 0.220505 H\n0.531767 0.086011 0.798820 H\n0.468233 0.913989 0.201180 H\n0.408135 0.902397 0.989242 H\n0.591865 0.097603 0.010758 H\n0.325595 0.858264 0.887473 H\n0.674405 0.141736 0.112527 H\n0.275887 0.033657 0.893980 H\n0.724113 0.966343 0.106020 H\n0.706965 0.483017 0.156212 C\n0.293035 0.516983 0.843788 C\n0.670963 0.640534 0.062639 C\n0.329037 0.359466 0.937361 C\n0.119190 0.009539 0.221017 C\n0.880810 0.990461 0.778983 C\n0.010801 0.087145 0.123512 C\n0.989199 0.912855 0.876488 C\n0.487917 0.004419 0.784180 C\n0.512083 0.995581 0.215820 C\n0.366659 0.946730 0.893721 C\n0.633341 0.053270 0.106279 C\n0.680167 0.459830 0.299602 N\n0.319833 0.540170 0.700398 N\n0.047215 0.920383 0.354499 N\n0.952785 0.079617 0.645501 N\n0.440660 0.079324 0.649451 N\n0.559340 0.920676 0.350549 N\n0.139865 0.308117 0.659505 Cl\n0.860135 0.691883 0.340495 Cl\n0.389974 0.308504 0.335024 Cl\n0.610026 0.691496 0.664976 Cl\n0.358119 0.650032 0.364878 Cl\n0.641881 0.349968 0.635122 Cl\n0.030295 0.316728 0.327983 Cl\n0.969705 0.683272 0.672017 Cl\n0.202229 0.623806 0.109357 Cl\n0.797771 0.376194 0.890643 Cl\n0.736062 0.098193 0.438912 Cl\n0.263938 0.901807 0.561088 Cl\n",
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"formula_full": "Sb2 H48 C12 N6 Cl12",
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{
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{
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