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{
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{
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{
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"structure_string": "K2 Mn2 F6\n1.0\n-2.995135 2.995135 4.288394\n2.995135 -2.995135 4.288394\n2.995135 2.995135 -4.288394\nK Mn F\n2 2 6\ndirect\n0.250000 0.750000 0.500000 K\n0.750000 0.250000 0.500000 K\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.000000 F\n0.250000 0.250000 0.000000 F\n0.285748 0.785748 0.071497 F\n0.785748 0.714252 0.500000 F\n0.714252 0.214252 0.928503 F\n0.214252 0.285748 0.500000 F\n",
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{
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{
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"structure_string": "Tl4 Cr4 Mo8 O32\n1.0\n5.736486 0.000000 0.000000\n0.000000 9.049147 0.000000\n0.000000 0.000000 15.097140\nTl Cr Mo O\n4 4 8 32\ndirect\n0.750000 0.559374 0.882903 Tl\n0.750000 0.940626 0.382903 Tl\n0.250000 0.440626 0.117097 Tl\n0.250000 0.059374 0.617097 Tl\n0.750000 0.821732 0.121094 Cr\n0.250000 0.321732 0.378906 Cr\n0.250000 0.178268 0.878906 Cr\n0.750000 0.678268 0.621094 Cr\n0.250000 0.704773 0.470711 Mo\n0.750000 0.987440 0.779690 Mo\n0.750000 0.204773 0.029289 Mo\n0.250000 0.012560 0.220310 Mo\n0.250000 0.795227 0.970711 Mo\n0.750000 0.295227 0.529289 Mo\n0.750000 0.512560 0.279690 Mo\n0.250000 0.487440 0.720310 Mo\n0.988092 0.901253 0.207218 O\n0.988092 0.598747 0.707218 O\n0.004128 0.247572 0.463549 O\n0.250000 0.120718 0.321743 O\n0.495872 0.247572 0.463549 O\n0.750000 0.641000 0.365812 O\n0.511908 0.901253 0.207218 O\n0.750000 0.486575 0.558720 O\n0.488092 0.401253 0.292782 O\n0.750000 0.620718 0.178257 O\n0.504128 0.747572 0.036451 O\n0.495872 0.252428 0.963549 O\n0.250000 0.986575 0.941280 O\n0.750000 0.318993 0.123995 O\n0.250000 0.359000 0.634188 O\n0.250000 0.141000 0.134188 O\n0.250000 0.379282 0.821743 O\n0.250000 0.681007 0.876005 O\n0.750000 0.181007 0.623995 O\n0.750000 0.013425 0.058720 O\n0.011908 0.401253 0.292782 O\n0.750000 0.859000 0.865812 O\n0.250000 0.818993 0.376005 O\n0.995872 0.752428 0.536451 O\n0.250000 0.513425 0.441280 O\n0.488092 0.098747 0.792782 O\n0.750000 0.879282 0.678257 O\n0.504128 0.752428 0.536451 O\n0.511908 0.598747 0.707218 O\n0.011908 0.098747 0.792782 O\n0.004128 0.252428 0.963549 O\n0.995872 0.747572 0.036451 O\n",
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{
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"structure_string": "Mo4 H24 N4 O12 F8\n1.0\n7.171387 4.729996 0.000000\n-7.171387 4.729996 0.000000\n0.000000 3.166737 7.336732\nMo H N O F\n4 24 4 12 8\ndirect\n0.010574 0.724048 0.736805 Mo\n0.275952 0.989426 0.763195 Mo\n0.989426 0.275952 0.263195 Mo\n0.724048 0.010574 0.236805 Mo\n0.371026 0.532995 0.866154 H\n0.467005 0.628974 0.633846 H\n0.628974 0.467005 0.133846 H\n0.532995 0.371026 0.366154 H\n0.415567 0.413023 0.738569 H\n0.586977 0.584433 0.761431 H\n0.584433 0.586977 0.261431 H\n0.413023 0.415567 0.238569 H\n0.879810 0.295460 0.661118 H\n0.704540 0.120190 0.838882 H\n0.120190 0.704540 0.338882 H\n0.295460 0.879810 0.161118 H\n0.129608 0.240726 0.657404 H\n0.759274 0.870392 0.842596 H\n0.870392 0.759274 0.342596 H\n0.240726 0.129608 0.157404 H\n0.077930 0.191502 0.877622 H\n0.808498 0.922070 0.622378 H\n0.922070 0.808498 0.122378 H\n0.191502 0.077930 0.377622 H\n0.751153 0.334161 0.824875 H\n0.665839 0.248847 0.675125 H\n0.248847 0.665839 0.175125 H\n0.334161 0.751153 0.324875 H\n0.460473 0.539527 0.750000 N\n0.539527 0.460473 0.250000 N\n0.750884 0.249116 0.750000 N\n0.249116 0.750884 0.250000 N\n0.105164 0.581942 0.732716 O\n0.418058 0.894836 0.767284 O\n0.894836 0.418058 0.267284 O\n0.581942 0.105164 0.232716 O\n0.041171 0.804873 0.945572 O\n0.195127 0.958829 0.554428 O\n0.958829 0.195127 0.054428 O\n0.804873 0.041171 0.445572 O\n0.808517 0.841649 0.736096 O\n0.158351 0.191483 0.763904 O\n0.191483 0.158351 0.263904 O\n0.841649 0.808517 0.236096 O\n0.918601 0.671108 0.524900 F\n0.328892 0.081399 0.975100 F\n0.081399 0.328892 0.475100 F\n0.671108 0.918601 0.024900 F\n0.759350 0.514265 0.907916 F\n0.485735 0.240650 0.592084 F\n0.240650 0.485735 0.092084 F\n0.514265 0.759350 0.407916 F\n",
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]
}