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{
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{
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{
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{
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"structure_string": "Yb2 Zr14 Si14 P2 O64\n1.0\n3.016244 -4.772582 0.000000\n3.016244 4.772582 0.000000\n0.000000 0.000000 38.190790\nYb Zr Si P O\n2 14 14 2 64\ndirect\n0.000000 0.500000 0.563106 Yb\n0.500000 0.000000 0.436894 Yb\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.375152 Zr\n0.500000 0.500000 0.250070 Zr\n0.000000 0.000000 0.124991 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.875009 Zr\n0.000000 0.500000 0.312342 Zr\n0.500000 0.500000 0.749930 Zr\n0.500000 0.000000 0.187496 Zr\n0.000000 0.000000 0.624848 Zr\n0.000000 0.500000 0.062493 Zr\n0.500000 0.000000 0.937507 Zr\n0.000000 0.500000 0.812504 Zr\n0.500000 0.000000 0.687658 Zr\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.312669 Si\n0.500000 0.500000 0.373743 Si\n0.000000 0.500000 0.187453 Si\n0.000000 0.000000 0.249889 Si\n0.500000 0.000000 0.062479 Si\n0.500000 0.500000 0.124959 Si\n0.000000 0.500000 0.937521 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.812547 Si\n0.500000 0.500000 0.875041 Si\n0.000000 0.500000 0.687331 Si\n0.000000 0.000000 0.750111 Si\n0.500000 0.500000 0.626257 Si\n0.500000 0.000000 0.562292 P\n0.000000 0.500000 0.437708 P\n0.746436 0.064445 0.585192 O\n0.435876 0.752910 0.539517 O\n0.564124 0.247090 0.539517 O\n0.247090 0.564124 0.460483 O\n0.253564 0.935555 0.585192 O\n0.935555 0.253564 0.414808 O\n0.272690 0.094821 0.477799 O\n0.064445 0.746436 0.414808 O\n0.772095 0.087737 0.335402 O\n0.905179 0.727310 0.522201 O\n0.752910 0.435876 0.460483 O\n0.094821 0.272690 0.522201 O\n0.412225 0.729885 0.289611 O\n0.771961 0.583568 0.350984 O\n0.587775 0.270115 0.289611 O\n0.271532 0.588634 0.210336 O\n0.727310 0.905179 0.477799 O\n0.399831 0.227710 0.396025 O\n0.227905 0.912263 0.335402 O\n0.600169 0.772290 0.396025 O\n0.911416 0.228816 0.164658 O\n0.271245 0.088531 0.227106 O\n0.088584 0.771184 0.164658 O\n0.771433 0.088657 0.085339 O\n0.228039 0.416432 0.350984 O\n0.911240 0.728804 0.272713 O\n0.728468 0.411366 0.210336 O\n0.088760 0.271196 0.272713 O\n0.411360 0.728673 0.039662 O\n0.771273 0.588625 0.102161 O\n0.588640 0.271327 0.039662 O\n0.271327 0.588640 0.960338 O\n0.728755 0.911469 0.227106 O\n0.411333 0.228529 0.147834 O\n0.228567 0.911343 0.085339 O\n0.588667 0.771471 0.147834 O\n0.911343 0.228567 0.914661 O\n0.271379 0.088647 0.977161 O\n0.088657 0.771433 0.914661 O\n0.771184 0.088584 0.835342 O\n0.228727 0.411375 0.102161 O\n0.911353 0.728621 0.022839 O\n0.728673 0.411360 0.960338 O\n0.088647 0.271379 0.022839 O\n0.411366 0.728468 0.789664 O\n0.771471 0.588667 0.852166 O\n0.588634 0.271532 0.789664 O\n0.270115 0.587775 0.710389 O\n0.728621 0.911353 0.977161 O\n0.411375 0.228727 0.897839 O\n0.228816 0.911416 0.835342 O\n0.588625 0.771273 0.897839 O\n0.912263 0.227905 0.664598 O\n0.271196 0.088760 0.727287 O\n0.087737 0.772095 0.664598 O\n0.228529 0.411333 0.852166 O\n0.911469 0.728755 0.772894 O\n0.729885 0.412225 0.710389 O\n0.088531 0.271245 0.772894 O\n0.772290 0.600169 0.603975 O\n0.728804 0.911240 0.727287 O\n0.416432 0.228039 0.649016 O\n0.583568 0.771961 0.649016 O\n0.227710 0.399831 0.603975 O\n",
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"formula_full": "Yb2 Zr14 Si14 P2 O64",
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{
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"structure_string": "Li2 Nb2 O4 F2\n1.0\n2.624108 4.644607 0.000000\n-2.624108 4.644607 0.000000\n0.000000 2.922683 4.779830\nLi Nb O F\n2 2 4 2\ndirect\n0.739833 0.331499 0.661781 Li\n0.331499 0.739833 0.161781 Li\n0.491141 0.998566 0.519740 Nb\n0.998566 0.491141 0.019740 Nb\n0.622443 0.702893 0.317420 O\n0.232739 0.356191 0.285181 O\n0.356191 0.232739 0.785181 O\n0.702893 0.622443 0.817420 O\n0.910109 0.070585 0.281878 F\n0.070585 0.910109 0.781878 F\n",
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{
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"structure_string": "La3 Mg3\n1.0\n1.782623 6.470679 0.000000\n-1.782623 6.470679 0.000000\n0.000000 2.372940 7.767297\nLa Mg\n3 3\ndirect\n0.999665 0.999665 0.014763 La\n0.627229 0.627229 0.258012 La\n0.645604 0.645604 0.684444 La\n0.335728 0.335728 0.352296 Mg\n0.930473 0.930473 0.606026 Mg\n0.294633 0.294633 0.917792 Mg\n",
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{
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{
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{
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"structure_string": "Ce4 Ho11 S22\n1.0\n1.976822 19.645755 0.000000\n-1.976822 19.645755 0.000000\n0.000000 0.346464 11.366697\nCe Ho S\n4 11 22\ndirect\n0.104332 0.104332 0.988131 Ce\n0.895668 0.895668 0.011869 Ce\n0.368783 0.368783 0.651133 Ce\n0.631217 0.631217 0.348867 Ce\n0.798315 0.798315 0.941011 Ho\n0.201685 0.201685 0.058989 Ho\n0.462124 0.462124 0.730401 Ho\n0.537876 0.537876 0.269599 Ho\n0.657684 0.657684 0.699398 Ho\n0.342316 0.342316 0.300602 Ho\n0.264937 0.264937 0.647989 Ho\n0.735063 0.735063 0.352011 Ho\n0.069797 0.069797 0.640066 Ho\n0.930203 0.930203 0.359934 Ho\n0.000000 0.000000 0.000000 Ho\n0.087323 0.087323 0.246878 S\n0.912677 0.912677 0.753122 S\n0.186876 0.186876 0.308648 S\n0.813124 0.813124 0.691352 S\n0.279392 0.279392 0.408382 S\n0.720608 0.720608 0.591618 S\n0.444686 0.444686 0.506435 S\n0.555314 0.555314 0.493565 S\n0.134836 0.134836 0.547615 S\n0.865164 0.865164 0.452385 S\n0.592787 0.592787 0.789400 S\n0.407213 0.407213 0.210600 S\n0.452904 0.452904 0.970326 S\n0.547096 0.547096 0.029674 S\n0.351096 0.351096 0.909714 S\n0.648904 0.648904 0.090286 S\n0.168600 0.168600 0.849155 S\n0.831400 0.831400 0.150845 S\n0.007916 0.007916 0.759788 S\n0.992084 0.992084 0.240212 S\n0.255480 0.255480 0.880875 S\n0.744520 0.744520 0.119125 S\n",
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