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{
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"structure_string": "Ba1 Ti1 Hg1\n1.0\n0.000000 3.877341 3.877341\n3.877341 -0.000000 3.877341\n3.877341 3.877341 -0.000000\nBa Ti Hg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Hg\n",
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"structure_string": "H28 N4 O24\n1.0\n9.596275 0.000066 -0.014855\n0.001798 14.252735 -0.018568\n0.005491 0.003187 3.341468\nH N O\n28 4 24\ndirect\n0.497099 0.675721 0.027089 H\n0.737602 0.453661 0.834613 H\n0.689799 0.346758 0.867550 H\n0.658936 0.627559 0.998938 H\n0.874359 0.585161 0.915979 H\n0.809993 0.662084 0.620656 H\n0.127182 0.085184 0.583728 H\n0.191556 0.162062 0.879380 H\n0.342534 0.127619 0.500973 H\n0.311678 0.846715 0.632455 H\n0.131309 0.867709 0.261802 H\n0.263850 0.953621 0.665656 H\n0.566172 0.440758 0.273858 H\n0.410523 0.460950 0.404721 H\n0.870151 0.367782 0.238216 H\n0.019255 0.499980 0.353466 H\n0.894382 0.045012 0.489630 H\n-0.017808 -0.000074 0.146370 H\n0.590993 -0.039066 0.095439 H\n0.435377 0.940767 0.226487 H\n0.469626 0.071539 0.221654 H\n0.504327 0.175831 0.472951 H\n0.959863 0.821286 0.240857 H\n0.087794 0.792004 0.908215 H\n0.913714 0.292093 0.591581 H\n0.041608 0.321356 0.258838 H\n0.531904 0.571508 0.278531 H\n0.107149 0.544920 0.010221 H\n0.265011 0.337324 0.113295 N\n0.255707 0.675642 0.795403 N\n0.736466 0.837254 0.386569 N\n0.745760 0.175755 0.704265 N\n0.569732 0.638686 0.171615 O\n0.273735 0.900902 0.478522 O\n0.508405 0.482778 0.440608 O\n0.011435 0.527081 0.086192 O\n0.213767 0.103616 0.732922 O\n-0.009925 0.027137 0.413502 O\n0.493102 -0.017243 0.059642 O\n0.431754 0.138737 0.328402 O\n0.052432 0.846064 0.078708 O\n0.949055 0.346142 0.421206 O\n0.248509 0.411232 0.315758 O\n0.376588 0.314037 -0.042530 O\n0.723804 0.090850 0.631833 O\n0.752978 0.911187 0.184543 O\n0.155009 0.282160 0.068171 O\n0.351969 0.736859 0.859019 O\n0.649465 0.236972 0.640962 O\n0.846474 0.782046 0.431280 O\n0.137950 0.702924 0.659384 O\n0.863517 0.203026 0.840258 O\n0.624894 0.814009 0.542303 O\n0.787773 0.603634 0.766927 O\n0.277671 0.590745 0.867768 O\n0.727738 0.400949 0.021619 O\n",
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"structure_string": "Ba1 La1 Mo2\n1.0\n4.193351 0.000000 0.000000\n-0.000000 4.192127 0.000000\n0.000000 0.000000 6.925387\nBa La Mo\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.344452 Mo\n0.000000 0.000000 0.655548 Mo\n",
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{
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"structure_string": "Cd1 N2 Cl2\n1.0\n0.000000 0.000000 -3.739739\n-3.641436 -4.102314 0.000000\n-3.641436 4.102314 0.000000\nCd N Cl\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.302529 0.697472 N\n0.000000 0.697472 0.302529 N\n0.500000 0.755731 0.755731 Cl\n0.500000 0.244270 0.244270 Cl\n",
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