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{
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"structure_string": "Ca4 Sn4 O10\n1.0\n4.143274 0.000000 0.000000\n0.000000 5.564560 0.000000\n0.000000 -0.000000 10.599151\nCa Sn O\n4 4 10\ndirect\n0.499999 0.141741 0.853019 Ca\n0.499999 0.858259 0.146981 Ca\n0.499999 0.641741 0.646981 Ca\n0.499999 0.358259 0.353019 Ca\n0.000000 0.164523 0.604023 Sn\n0.000000 0.835477 0.395977 Sn\n0.000000 0.335477 0.104023 Sn\n0.000000 0.664523 0.895977 Sn\n0.499999 0.214193 0.624666 O\n0.000000 0.853942 0.722782 O\n0.499999 0.714193 0.875334 O\n0.499999 0.285807 0.124666 O\n0.000000 0.500000 0.500000 O\n0.000000 0.646058 0.222782 O\n0.000000 0.146058 0.277218 O\n0.000000 0.000000 0.000000 O\n0.000000 0.353942 0.777218 O\n0.499999 0.785807 0.375334 O\n",
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{
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"structure_string": "K4 Ni6 S8\n1.0\n5.627097 -0.000000 1.235807\n2.813549 5.033664 0.617903\n0.076545 0.000000 13.080523\nK Ni S\n4 6 8\ndirect\n0.546172 0.749999 0.907658 K\n0.296171 0.250000 0.407658 K\n0.453830 0.250000 0.092342 K\n0.703831 0.749999 0.592341 K\n0.875730 0.749999 0.248542 Ni\n0.374272 0.749999 0.251458 Ni\n0.124272 0.250000 0.751458 Ni\n0.625730 0.250000 0.748542 Ni\n0.875001 0.250000 0.250000 Ni\n0.125001 0.749999 0.750000 Ni\n0.655837 0.582674 0.364255 S\n0.102767 0.917324 0.135745 S\n0.979911 0.917324 0.364255 S\n0.761491 0.582674 0.135745 S\n0.897235 0.082675 0.864255 S\n0.344165 0.417325 0.635745 S\n0.020091 0.082675 0.635745 S\n0.238511 0.417325 0.864255 S\n",
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"structure_string": "Ba4 Ca2 I12\n1.0\n7.787178 -0.000000 0.000000\n-0.000000 7.787178 0.000000\n0.000000 0.000000 15.097164\nBa Ca I\n4 2 12\ndirect\n0.000000 0.000000 0.333264 Ba\n0.000000 0.000000 0.666735 Ba\n0.500000 0.500000 0.166736 Ba\n0.500000 0.500000 0.833264 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.785789 0.214211 0.500000 I\n0.714211 0.714211 0.000000 I\n0.691012 0.691012 0.652937 I\n0.691012 0.691012 0.347063 I\n0.308988 0.308988 0.652937 I\n0.214211 0.785789 0.500000 I\n0.285789 0.285789 0.000000 I\n0.808988 0.191012 0.152937 I\n0.191012 0.808988 0.847063 I\n0.191012 0.808988 0.152937 I\n0.308988 0.308988 0.347063 I\n0.808988 0.191012 0.847063 I\n",
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{
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"structure_string": "Fe4 Te2 O12\n1.0\n4.488111 -0.000000 0.000000\n0.000000 4.488111 0.000000\n0.000000 0.000000 9.073588\nFe Te O\n4 2 12\ndirect\n0.000000 0.000000 0.331698 Fe\n0.500000 0.500000 0.831698 Fe\n0.000000 0.000000 0.668302 Fe\n0.500000 0.500000 0.168302 Fe\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.199402 0.800598 0.825919 O\n0.816950 0.183050 0.500000 O\n0.183050 0.816950 0.500000 O\n0.316950 0.316950 0.000000 O\n0.800598 0.199402 0.825919 O\n0.699402 0.699402 0.325919 O\n0.199402 0.800598 0.174081 O\n0.300598 0.300598 0.325919 O\n0.300598 0.300598 0.674081 O\n0.699402 0.699402 0.674081 O\n0.800598 0.199402 0.174081 O\n0.683050 0.683050 0.000000 O\n",
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{
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"structure_string": "Cd6 I12\n1.0\n4.285765 -0.000000 0.000000\n-2.142883 3.711581 -0.000000\n0.000000 0.000000 41.251330\nCd I\n6 12\ndirect\n0.333334 0.666667 0.541572 Cd\n0.333334 0.666667 0.374971 Cd\n0.000000 0.000000 0.708373 Cd\n0.666668 0.333333 0.041729 Cd\n0.000000 0.000000 0.208352 Cd\n0.000000 0.000000 0.875001 Cd\n0.666668 0.333333 0.499536 I\n0.666668 0.333333 0.666313 I\n0.000000 0.000000 -0.000293 I\n0.000000 0.000000 0.416993 I\n0.333334 0.666667 0.750403 I\n0.666668 0.333333 0.832972 I\n0.333334 0.666667 0.917061 I\n0.333334 0.666667 0.250378 I\n0.000000 0.000000 0.583608 I\n0.333334 0.666667 0.083777 I\n0.666668 0.333333 0.332925 I\n0.666668 0.333333 0.166326 I\n",
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{
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"structure_string": "Ba4 Bi4 O10\n1.0\n0.000000 6.157502 0.033895\n7.627350 0.000000 0.000000\n0.000000 -1.381456 -7.338599\nBa Bi O\n4 4 10\ndirect\n0.222435 0.924417 0.866227 Ba\n0.277564 0.424417 0.133772 Ba\n0.777564 0.075583 0.133772 Ba\n0.722435 0.575583 0.866227 Ba\n0.278647 0.877023 0.372590 Bi\n0.221352 0.377023 0.627410 Bi\n0.721352 0.122977 0.627410 Bi\n0.778647 0.622977 0.372589 Bi\n0.747312 0.910797 0.811238 O\n0.752686 0.410797 0.188761 O\n0.252687 0.089203 0.188761 O\n0.247313 0.589203 0.811239 O\n0.536331 0.768832 0.188079 O\n0.463668 0.231168 0.811920 O\n0.963668 0.268832 0.811920 O\n-0.000000 0.000000 0.500000 O\n0.036331 0.731168 0.188080 O\n0.499999 0.500000 0.500000 O\n",
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"created_at": "2022-09-04T14:37:09.172279Z",
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"structure_string": "Bi4 Te2 O12\n1.0\n5.463612 -0.000000 0.000000\n0.000000 5.182377 -1.660646\n-0.000000 -0.046874 8.770365\nBi Te O\n4 2 12\ndirect\n0.491549 0.827603 0.655206 Bi\n0.508450 0.172398 0.344795 Bi\n0.008450 0.327603 0.655206 Bi\n0.991549 0.672398 0.344795 Bi\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 -0.000000 Te\n0.750000 0.718690 0.937377 O\n0.250000 0.781312 0.062623 O\n0.750000 0.499866 0.499731 O\n0.418912 0.389625 0.779250 O\n0.750000 0.999866 0.499731 O\n0.750000 0.218690 0.937377 O\n0.250000 0.281311 0.062623 O\n0.081088 0.889625 0.779250 O\n0.581088 0.610376 0.220750 O\n0.918911 0.110376 0.220750 O\n0.250000 0.500135 0.500270 O\n0.250000 0.000135 0.500270 O\n",
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"structure_string": "Li3 Ti2 Fe3 O10\n1.0\n5.037435 -0.104536 0.060525\n0.945622 4.888716 0.106524\n2.224292 1.838605 7.113790\nLi Ti Fe O\n3 2 3 10\ndirect\n0.509924 0.776128 0.407096 Li\n-0.000000 0.500001 0.500000 Li\n0.490074 0.223872 0.592905 Li\n0.004253 0.874024 0.694236 Ti\n0.995745 0.125976 0.305765 Ti\n0.499999 -0.000001 0.000000 Fe\n0.986444 0.302717 0.903159 Fe\n0.013554 0.697283 0.096841 Fe\n0.220109 0.349024 0.050541 O\n0.762929 0.218730 0.766829 O\n0.788337 0.466657 0.331915 O\n0.211661 0.533343 0.668086 O\n0.214065 0.959382 0.864113 O\n0.779889 0.650977 0.949459 O\n0.772623 0.885162 0.532866 O\n0.227374 0.114839 0.467135 O\n0.237069 0.781270 0.233171 O\n0.785933 0.040619 0.135887 O\n",
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"structure_string": "H10 C4 N2 O2\n1.0\n4.535152 0.106244 -0.499855\n-1.730735 4.313900 -0.900475\n-0.007019 0.135571 6.619078\nH C N O\n10 4 2 2\ndirect\n0.729433 0.691866 0.959211 H\n0.924822 0.534618 0.238161 H\n0.255573 0.867497 0.033105 H\n0.230077 0.689018 0.459028 H\n0.423766 0.538563 0.738403 H\n0.583484 -0.000044 0.242354 H\n0.757795 0.870504 0.533350 H\n0.294617 0.216352 0.450597 H\n0.786245 0.217967 0.949533 H\n0.082694 0.005219 0.744678 H\n0.823700 0.921322 0.703503 C\n0.681210 0.636289 0.787247 C\n0.324308 0.917756 0.203029 C\n0.182232 0.632867 0.287077 C\n0.687892 0.145888 0.793459 N\n0.191912 0.143842 0.295295 N\n0.825218 0.420058 0.710027 O\n0.326990 0.417007 0.210395 O\n",
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