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{
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{
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"structure_string": "Na5 Ca6 Nd5 Zr16 O48\n1.0\n32.668222 0.000000 0.000000\n0.000000 5.671363 0.000000\n0.000000 0.011942 5.857513\nNa Ca Nd Zr O\n5 6 5 16 48\ndirect\n0.250381 0.987795 0.028266 Na\n0.749619 0.987795 0.028266 Na\n0.000000 0.512022 0.528362 Na\n0.630345 0.496028 0.476633 Na\n0.369655 0.496028 0.476633 Na\n0.873784 0.487367 0.452205 Ca\n0.126216 0.487367 0.452205 Ca\n0.370363 0.011417 0.947864 Ca\n0.876369 0.015119 0.951631 Ca\n0.123631 0.015119 0.951631 Ca\n0.629637 0.011417 0.947864 Ca\n0.500000 0.989411 0.050105 Nd\n0.000000 0.988104 0.060770 Nd\n0.249845 0.515513 0.564259 Nd\n0.500000 0.511417 0.557455 Nd\n0.750155 0.515513 0.564259 Nd\n0.311676 0.497826 0.012856 Zr\n0.565882 0.498830 0.004133 Zr\n0.813000 0.500569 0.005753 Zr\n0.062995 0.501970 0.994487 Zr\n0.187000 0.500569 0.005753 Zr\n0.434118 0.498830 0.004133 Zr\n0.937005 0.501970 0.994487 Zr\n0.688324 0.497826 0.012856 Zr\n0.311904 0.004713 0.495257 Zr\n0.565949 0.004427 0.496599 Zr\n0.813362 0.999804 0.495235 Zr\n0.062649 0.001068 0.504301 Zr\n0.186638 0.999804 0.495235 Zr\n0.434051 0.004427 0.496599 Zr\n0.937351 0.001068 0.504301 Zr\n0.688096 0.004713 0.495257 Zr\n0.375354 0.911306 0.544318 O\n0.875300 0.891612 0.541147 O\n0.124700 0.891612 0.541147 O\n0.624646 0.911306 0.544318 O\n0.299763 0.778789 0.783788 O\n0.201298 0.783211 0.784799 O\n0.546105 0.790772 0.784085 O\n0.798702 0.783211 0.784799 O\n0.453895 0.790772 0.784085 O\n0.700237 0.778789 0.783788 O\n0.049795 0.816406 0.810295 O\n0.950205 0.816406 0.810295 O\n0.297842 0.692517 0.307684 O\n0.199606 0.685106 0.311946 O\n0.545208 0.706384 0.285508 O\n0.800394 0.685106 0.311946 O\n0.454792 0.706384 0.285508 O\n0.702158 0.692517 0.307684 O\n0.048833 0.718187 0.284048 O\n0.951167 0.718187 0.284048 O\n0.624658 0.610396 0.032352 O\n0.875039 0.610071 0.040157 O\n0.375342 0.610396 0.032352 O\n0.124961 0.610071 0.040157 O\n0.249472 0.407130 0.969272 O\n0.500000 0.397384 0.963631 O\n0.000000 0.394567 0.966658 O\n0.750528 0.407130 0.969272 O\n0.322911 0.285325 0.717241 O\n0.428749 0.308991 0.689193 O\n0.571251 0.308991 0.689193 O\n0.677089 0.285325 0.717241 O\n0.824878 0.297304 0.702912 O\n0.920450 0.300522 0.705394 O\n0.175122 0.297304 0.702912 O\n0.079550 0.300522 0.705394 O\n0.427847 0.174826 0.172169 O\n0.327792 0.195735 0.203414 O\n0.925504 0.203680 0.201093 O\n0.672208 0.195735 0.203414 O\n0.074496 0.203680 0.201093 O\n0.572153 0.174826 0.172169 O\n0.829959 0.200725 0.206082 O\n0.170041 0.200725 0.206082 O\n0.249384 0.110189 0.469464 O\n0.500000 0.108621 0.455779 O\n0.750616 0.110189 0.469464 O\n0.000000 0.095216 0.465573 O\n",
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{
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{
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"structure_string": "Sr10 Mo4 N14\n1.0\n-6.496473 0.000000 0.000000\n-0.112632 -9.331401 0.000000\n1.091816 3.982703 8.421624\nSr Mo N\n10 4 14\ndirect\n0.847221 0.590565 0.325325 Sr\n0.262168 0.987104 0.558163 Sr\n0.705214 0.416676 0.852934 Sr\n0.294786 0.583324 0.147066 Sr\n0.405193 0.791395 0.922897 Sr\n0.594807 0.208605 0.077103 Sr\n0.152779 0.409435 0.674675 Sr\n0.896827 0.845804 0.762109 Sr\n0.103173 0.154196 0.237891 Sr\n0.737832 0.012896 0.441837 Sr\n0.578520 0.356134 0.474753 Mo\n0.421480 0.643866 0.525247 Mo\n0.119924 0.215086 0.913448 Mo\n0.880076 0.784914 0.086552 Mo\n0.532566 0.551542 0.676577 N\n0.467434 0.448458 0.323423 N\n0.151353 0.701906 0.552241 N\n0.848647 0.298094 0.447759 N\n0.411434 0.190734 0.464448 N\n0.588566 0.809266 0.535552 N\n0.952120 0.135497 0.715682 N\n0.047880 0.864503 0.284318 N\n0.231552 0.050835 0.959583 N\n0.768448 0.949165 0.040417 N\n0.351190 0.327849 0.900002 N\n0.965286 0.346322 0.077859 N\n0.034714 0.653678 0.922141 N\n0.648810 0.672151 0.099998 N\n",
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{
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"structure_string": "Cs8 Cd8 In8 Te24\n1.0\n6.452436 6.453845 0.000000\n-6.452436 6.453845 0.000000\n0.000000 3.216703 24.637782\nCs Cd In Te\n8 8 8 24\ndirect\n0.730771 0.106488 0.076446 Cs\n0.893512 0.269229 0.423554 Cs\n0.269229 0.893512 0.923554 Cs\n0.106488 0.730771 0.576446 Cs\n0.730842 0.605297 0.076423 Cs\n0.394703 0.269158 0.423577 Cs\n0.269158 0.394703 0.923577 Cs\n0.605297 0.730842 0.576423 Cs\n0.939758 0.060242 0.250000 Cd\n0.060242 0.939758 0.750000 Cd\n0.435392 0.564608 0.250000 Cd\n0.564608 0.435392 0.750000 Cd\n0.939681 0.564925 0.249984 Cd\n0.435075 0.060319 0.250016 Cd\n0.060319 0.435075 0.750016 Cd\n0.564925 0.939681 0.749984 Cd\n0.219615 0.844488 0.122407 In\n0.155512 0.780385 0.377593 In\n0.780385 0.155512 0.877593 In\n0.844488 0.219615 0.622407 In\n0.219471 0.344387 0.122493 In\n0.655613 0.780529 0.377507 In\n0.780529 0.655613 0.877507 In\n0.344387 0.219471 0.622493 In\n0.237139 0.111866 0.052499 Te\n0.888134 0.762861 0.447501 Te\n0.762861 0.888134 0.947501 Te\n0.111866 0.237139 0.552499 Te\n0.937830 0.330125 0.179860 Te\n0.669875 0.062170 0.320140 Te\n0.062170 0.669875 0.820140 Te\n0.330125 0.937830 0.679860 Te\n0.236739 0.611903 0.052502 Te\n0.388097 0.763261 0.447498 Te\n0.763261 0.388097 0.947498 Te\n0.611903 0.236739 0.552502 Te\n0.473003 0.830037 0.179523 Te\n0.169963 0.526997 0.320477 Te\n0.526997 0.169963 0.820477 Te\n0.830037 0.473003 0.679523 Te\n0.472441 0.330004 0.179815 Te\n0.669996 0.527559 0.320185 Te\n0.527559 0.669996 0.820185 Te\n0.330004 0.472441 0.679815 Te\n0.937320 0.830282 0.179434 Te\n0.169718 0.062680 0.320566 Te\n0.062680 0.169718 0.820566 Te\n0.830282 0.937320 0.679434 Te\n",
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{
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{
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