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{
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{
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{
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{
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{
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"structure_string": "Tb12 Ti8 Al86\n1.0\n5.548735 -9.610692 0.000000\n5.548735 9.610692 0.000000\n0.000000 0.000000 17.831307\nTb Ti Al\n12 8 86\ndirect\n0.530585 0.000000 0.596390 Tb\n0.469415 0.000000 0.403610 Tb\n0.000000 0.530585 0.596390 Tb\n0.469415 0.000000 0.096390 Tb\n0.000000 0.530585 0.903610 Tb\n0.000000 0.469415 0.403610 Tb\n0.530585 0.000000 0.903610 Tb\n0.000000 0.469415 0.096390 Tb\n0.469415 0.469415 0.596390 Tb\n0.530585 0.530585 0.403610 Tb\n0.530585 0.530585 0.096390 Tb\n0.469415 0.469415 0.903610 Tb\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.727378 0.000000 0.750000 Ti\n0.272622 0.000000 0.250000 Ti\n0.000000 0.727378 0.750000 Ti\n0.000000 0.272622 0.250000 Ti\n0.272622 0.272622 0.750000 Ti\n0.727378 0.727378 0.250000 Ti\n0.149884 0.597515 0.750000 Al\n0.850116 0.402485 0.250000 Al\n0.402485 0.552370 0.750000 Al\n0.597515 0.149884 0.750000 Al\n0.597515 0.447630 0.250000 Al\n0.402485 0.850116 0.250000 Al\n0.447630 0.850116 0.750000 Al\n0.552370 0.402485 0.750000 Al\n0.552370 0.149884 0.250000 Al\n0.447630 0.597515 0.250000 Al\n0.850116 0.447630 0.750000 Al\n0.149884 0.552370 0.250000 Al\n0.156922 0.000000 0.115863 Al\n0.843078 0.000000 0.884137 Al\n0.000000 0.156922 0.115863 Al\n0.843078 0.000000 0.615863 Al\n0.000000 0.156922 0.384137 Al\n0.000000 0.843078 0.884137 Al\n0.156922 0.000000 0.384137 Al\n0.000000 0.843078 0.615863 Al\n0.843078 0.843078 0.115863 Al\n0.156922 0.156922 0.884137 Al\n0.156922 0.156922 0.615863 Al\n0.843078 0.843078 0.384137 Al\n0.247286 0.494572 0.500000 Al\n0.752714 0.505428 0.500000 Al\n0.505428 0.752714 0.500000 Al\n0.752714 0.505428 0.000000 Al\n0.494572 0.247286 0.000000 Al\n0.494572 0.247286 0.500000 Al\n0.247286 0.494572 0.000000 Al\n0.505428 0.752714 0.000000 Al\n0.247286 0.752714 0.500000 Al\n0.752714 0.247286 0.500000 Al\n0.752714 0.247286 0.000000 Al\n0.247286 0.752714 0.000000 Al\n0.146447 0.000000 0.750000 Al\n0.853553 0.000000 0.250000 Al\n0.000000 0.146447 0.750000 Al\n0.000000 0.853553 0.250000 Al\n0.853553 0.853553 0.750000 Al\n0.146447 0.146447 0.250000 Al\n0.333333 0.666667 0.626143 Al\n0.666667 0.333333 0.373857 Al\n0.666667 0.333333 0.126143 Al\n0.666667 0.333333 0.873857 Al\n0.333333 0.666667 0.873857 Al\n0.333333 0.666667 0.126143 Al\n0.333333 0.666667 0.373857 Al\n0.666667 0.333333 0.626143 Al\n0.253553 0.000000 0.529097 Al\n0.746447 0.000000 0.470903 Al\n0.000000 0.253553 0.529097 Al\n0.746447 0.000000 0.029097 Al\n0.000000 0.253553 0.970903 Al\n0.000000 0.746447 0.470903 Al\n0.253553 0.000000 0.970903 Al\n0.000000 0.746447 0.029097 Al\n0.746447 0.746447 0.529097 Al\n0.253553 0.253553 0.470903 Al\n0.253553 0.253553 0.029097 Al\n0.746447 0.746447 0.970903 Al\n0.157987 0.393012 0.664771 Al\n0.842013 0.606988 0.335229 Al\n0.606988 0.764975 0.664771 Al\n0.842013 0.606988 0.164771 Al\n0.393012 0.157987 0.835229 Al\n0.393012 0.235025 0.335229 Al\n0.157987 0.393012 0.835229 Al\n0.606988 0.842013 0.164771 Al\n0.235025 0.842013 0.664771 Al\n0.393012 0.235025 0.164771 Al\n0.764975 0.606988 0.835229 Al\n0.764975 0.157987 0.335229 Al\n0.606988 0.764975 0.835229 Al\n0.235025 0.393012 0.164771 Al\n0.606988 0.842013 0.335229 Al\n0.393012 0.157987 0.664771 Al\n0.764975 0.157987 0.164771 Al\n0.235025 0.393012 0.335229 Al\n0.235025 0.842013 0.835229 Al\n0.764975 0.606988 0.664771 Al\n0.842013 0.235025 0.835229 Al\n0.157987 0.764975 0.164771 Al\n0.157987 0.764975 0.335229 Al\n0.842013 0.235025 0.664771 Al\n",
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{
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"structure_string": "Mg14 Al1 Fe1\n1.0\n6.261968 0.000000 0.000000\n-3.130984 5.423023 -0.000000\n0.000000 -0.000000 9.854830\nMg Al Fe\n14 1 1\ndirect\n0.168096 0.834048 0.125000 Mg\n0.164751 0.832375 0.625000 Mg\n0.665952 0.331904 0.125000 Mg\n0.667625 0.335249 0.625000 Mg\n0.665952 0.834048 0.125000 Mg\n0.667625 0.832375 0.625000 Mg\n0.324277 0.175723 0.385180 Mg\n0.324277 0.175723 0.864820 Mg\n0.324277 0.648555 0.385180 Mg\n0.324277 0.648555 0.864820 Mg\n0.851445 0.175723 0.385180 Mg\n0.851445 0.175723 0.864820 Mg\n0.833333 0.666667 0.372755 Mg\n0.833333 0.666667 0.877245 Mg\n0.166667 0.333333 0.125000 Al\n0.166667 0.333333 0.625000 Fe\n",
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{
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{
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"structure_string": "Mn12 O5 F19\n1.0\n4.880635 0.000000 0.000000\n0.108600 5.851598 0.000000\n0.086002 0.373423 15.955131\nMn O F\n12 5 19\ndirect\n0.030646 0.188478 0.422278 Mn\n0.991714 0.850250 0.249634 Mn\n0.972055 0.163478 0.085677 Mn\n0.025597 0.151016 0.744559 Mn\n0.003480 0.847669 0.585605 Mn\n0.012595 0.848477 0.909144 Mn\n0.474660 0.325014 0.585540 Mn\n0.517895 0.335589 0.923741 Mn\n0.517017 0.320653 0.245456 Mn\n0.513846 0.647496 0.081102 Mn\n0.497774 0.644685 0.419716 Mn\n0.479906 0.673896 0.754203 Mn\n0.207340 0.106251 0.637825 O\n0.216485 0.902294 0.803596 O\n0.298934 0.402154 0.476068 O\n0.719468 0.374161 0.033201 O\n0.786381 0.106885 0.189183 O\n0.235031 0.103486 0.307883 F\n0.203663 0.127209 0.978209 F\n0.230984 0.892198 0.130582 F\n0.235668 0.886049 0.472272 F\n0.261698 0.394774 0.141384 F\n0.267494 0.609632 0.304287 F\n0.258224 0.604905 0.644458 F\n0.275727 0.390185 0.812919 F\n0.274141 0.621997 0.970520 F\n0.730950 0.616185 0.195318 F\n0.736107 0.393234 0.358386 F\n0.739380 0.614934 0.533662 F\n0.733460 0.615760 0.860886 F\n0.722510 0.369908 0.694606 F\n0.766378 0.109716 0.524670 F\n0.758588 0.877942 0.365486 F\n0.769421 0.877069 0.015064 F\n0.782386 0.126621 0.852050 F\n0.752390 0.879750 0.690834 F\n",
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{
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{
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{
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{
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"formula_full": "Li6 Fe4 S8",
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]
}