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{
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"structure_string": "Li3 Cr3 B3 O9\n1.0\n0.000000 8.091662 0.000572\n3.112178 0.000000 0.000000\n0.000000 -4.045368 -7.007850\nLi Cr B O\n3 3 3 9\ndirect\n0.021361 0.500000 0.729536 Li\n0.270465 0.500000 0.291824 Li\n0.708177 0.500000 0.978641 Li\n0.624644 0.000000 0.603062 Cr\n0.978415 0.000000 0.375354 Cr\n0.396937 0.000000 0.021581 Cr\n0.000001 0.000000 0.000001 B\n0.333336 0.500000 0.666667 B\n0.666665 0.500000 0.333333 B\n0.444596 0.500000 0.581140 O\n0.746835 0.500000 0.531633 O\n0.468364 0.500000 0.215203 O\n0.784793 0.500000 0.253162 O\n0.087464 0.000000 0.889199 O\n0.418864 0.500000 0.863457 O\n0.801735 0.000000 0.912536 O\n0.136546 0.500000 0.555406 O\n0.110799 0.000000 0.198268 O\n",
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{
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"structure_string": "Ba2 Sr4 I12\n1.0\n12.601910 -0.442504 1.577140\n10.250096 7.344351 1.577140\n0.269044 0.081258 8.243485\nBa Sr I\n2 4 12\ndirect\n0.753083 0.246917 0.250000 Ba\n0.246916 0.753084 0.750000 Ba\n0.018269 0.626997 0.230717 Sr\n0.626997 0.018269 0.730717 Sr\n0.373003 0.981731 0.269282 Sr\n0.981730 0.373003 0.769282 Sr\n0.029766 0.154216 0.512342 I\n0.154216 0.029766 0.012343 I\n0.724155 0.739724 0.517312 I\n0.739723 0.724156 0.017312 I\n0.260276 0.275845 0.982687 I\n0.970234 0.845785 0.487657 I\n0.845784 0.970234 0.987657 I\n0.503218 0.644298 0.389290 I\n0.496781 0.355703 0.610709 I\n0.355703 0.496782 0.110710 I\n0.275844 0.260277 0.482688 I\n0.644297 0.503219 0.889290 I\n",
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{
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"structure_string": "Al2 Se2 Br14\n1.0\n0.000000 7.137400 -0.291843\n6.668313 0.000000 0.000000\n0.000000 -3.368523 -12.581101\nAl Se Br\n2 2 14\ndirect\n0.678844 0.000029 0.341354 Al\n0.678844 -0.000029 0.841354 Al\n0.007258 0.597871 0.491164 Se\n0.007258 0.402129 0.991164 Se\n0.451670 0.832305 0.215817 Br\n0.451670 0.167695 0.715817 Br\n0.638736 0.344185 0.327845 Br\n0.638736 0.655815 0.827845 Br\n0.663516 0.874517 0.506249 Br\n0.663516 0.125482 0.006249 Br\n-0.014501 0.072791 0.814777 Br\n0.950548 0.624427 0.123257 Br\n0.206427 0.836244 0.601056 Br\n0.206427 0.163756 0.101056 Br\n0.252801 0.425774 0.428582 Br\n0.950549 0.375573 0.623257 Br\n0.252801 0.574226 0.928582 Br\n-0.014501 0.927208 0.314777 Br\n",
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{
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"structure_string": "K6 H10 Pd2\n1.0\n7.317002 0.000000 0.000000\n0.000000 7.317002 0.000000\n-0.000000 0.000000 5.785708\nK H Pd\n6 10 2\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.183644 0.683644 0.500000 K\n0.816356 0.316356 0.500000 K\n0.683644 0.816356 0.500000 K\n0.316356 0.183644 0.500000 K\n0.114986 0.385014 0.200753 H\n0.885014 0.614986 0.200753 H\n0.614986 0.114986 0.200753 H\n0.385014 0.885014 0.200753 H\n0.885014 0.614986 0.799247 H\n0.614986 0.114986 0.799247 H\n0.385014 0.885014 0.799247 H\n0.500000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.500000 H\n0.114986 0.385014 0.799247 Pd\n0.000000 0.500000 0.000000 Pd\n",
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{
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"created_at": "2022-09-04T14:38:05.353549Z",
"updated_at": "2022-09-04T14:38:05.353570Z",
"structure_string": "Li6 Cr2 Cl2 O8\n1.0\n6.732671 0.000000 0.000000\n0.000000 6.732671 -0.000000\n0.000000 -0.000000 4.790677\nLi Cr Cl O\n6 2 2 8\ndirect\n0.500000 0.000000 0.156735 Li\n0.750000 0.250000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.000000 0.500000 0.843265 Li\n0.250000 0.750000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.321640 Cl\n0.500000 0.000000 0.678360 Cl\n0.196562 0.000000 0.210698 O\n0.803438 0.000000 0.210698 O\n0.000000 0.196562 0.789303 O\n0.500000 0.303438 0.210698 O\n0.303438 0.500000 0.789303 O\n0.696562 0.500000 0.789303 O\n0.500000 0.696562 0.210698 O\n0.000000 0.803438 0.789303 O\n",
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{
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"created_at": "2022-09-04T14:38:09.140117Z",
"updated_at": "2022-09-04T14:38:09.140139Z",
"structure_string": "Li8 Mn2 O6 F2\n1.0\n4.056123 3.470151 0.000000\n-4.056123 3.470151 0.000000\n0.000000 0.000000 6.386150\nLi Mn O F\n8 2 6 2\ndirect\n0.168136 0.846363 0.497721 Li\n0.153637 0.831864 0.997721 Li\n0.574045 0.879395 0.240347 Li\n0.120605 0.425954 0.740347 Li\n0.879395 0.574045 0.240347 Li\n0.425954 0.120605 0.740347 Li\n0.831864 0.153637 0.997721 Li\n0.846363 0.168136 0.497721 Li\n0.634338 0.634338 0.779221 Mn\n0.365662 0.365662 0.279221 Mn\n0.331041 0.759011 0.752327 O\n0.240989 0.668959 0.252327 O\n0.783130 0.783130 0.013200 O\n0.216869 0.216869 0.513200 O\n0.668959 0.240989 0.252327 O\n0.759011 0.331041 0.752327 O\n0.208517 0.208517 0.976787 F\n0.791482 0.791482 0.476787 F\n",
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{
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"structure_string": "V6 O9 F3\n1.0\n-4.518882 4.518882 2.909012\n0.134716 4.655540 -2.912392\n-4.655540 -0.134716 -2.912392\nV O F\n6 9 3\ndirect\n0.833610 0.666447 0.670503 V\n0.663977 0.363050 0.306503 V\n0.336021 0.693496 0.636950 V\n0.166389 0.329496 0.333552 V\n0.500000 0.982897 0.017103 V\n-0.000000 0.961277 0.038722 V\n-0.000000 0.692003 0.307997 O\n0.335203 0.967039 0.361387 O\n0.664797 0.638612 0.032960 O\n0.365429 0.433553 0.432356 O\n0.298494 0.902890 0.898604 O\n0.701505 0.101395 0.097110 O\n0.634570 0.567644 0.566446 O\n0.966134 0.230207 0.232882 O\n0.033865 0.767117 0.769793 O\n0.334948 0.371624 0.962347 F\n0.665052 0.037653 0.628375 F\n-0.000000 0.293595 0.706405 F\n",
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{
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"updated_at": "2022-09-04T14:38:26.196982Z",
"structure_string": "Zr10 Sb6 Se2\n1.0\n8.579612 0.000000 0.000000\n-4.289805 7.430162 0.000000\n0.000000 0.000000 6.137639\nZr Sb Se\n10 6 2\ndirect\n0.736943 0.736942 0.250000 Zr\n0.666667 0.333333 -0.000000 Zr\n0.333334 0.666666 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.000000 0.736942 0.750000 Zr\n0.333334 0.666666 -0.000000 Zr\n0.263058 0.263058 0.750000 Zr\n0.000000 0.263058 0.250000 Zr\n0.263058 -0.000000 0.250000 Zr\n0.736942 -0.000000 0.750000 Zr\n0.394024 0.394023 0.250000 Sb\n0.605976 -0.000000 0.250000 Sb\n0.000000 0.605976 0.250000 Sb\n0.605977 0.605976 0.750000 Sb\n0.394023 -0.000000 0.750000 Sb\n0.000000 0.394023 0.750000 Sb\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
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"structure_string": "Mn8 Ga6 Cu4\n1.0\n4.168525 -0.000000 0.000000\n-2.084262 3.610049 0.000000\n-0.000000 -0.000000 15.715824\nMn Ga Cu\n8 6 4\ndirect\n0.666666 0.333333 0.657795 Mn\n0.666666 0.333333 0.342205 Mn\n0.333333 0.666667 0.086515 Mn\n0.333333 0.666667 0.744307 Mn\n0.333333 0.666667 0.414817 Mn\n0.333333 0.666667 0.255693 Mn\n0.333333 0.666667 0.913485 Mn\n0.333333 0.666667 0.585182 Mn\n0.666666 0.333333 0.500000 Ga\n0.666666 0.333333 0.822529 Ga\n0.666666 0.333333 0.177471 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.670722 Ga\n0.000000 0.000000 0.329278 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.162488 Cu\n0.000000 0.000000 0.837512 Cu\n0.666666 0.333333 -0.000000 Cu\n",
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{
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"structure_string": "Cu2 H4 S2 O10\n1.0\n5.026271 0.102636 0.021590\n0.067554 5.224414 -0.047086\n-2.424991 -2.662924 6.829475\nCu H S O\n2 4 2 10\ndirect\n0.499999 0.500000 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n0.809274 0.418556 0.790190 H\n0.190725 0.581444 0.209809 H\n0.010143 0.450860 0.675779 H\n0.989856 0.549140 0.324220 H\n0.386338 0.080907 0.761854 S\n0.613660 0.919093 0.238144 S\n0.271681 0.210790 0.617333 O\n0.728318 0.789211 0.382666 O\n0.334484 0.776543 0.675014 O\n0.665515 0.223457 0.324985 O\n0.737712 0.819540 0.077634 O\n0.300315 0.836870 0.151743 O\n0.262286 0.180460 0.922364 O\n0.145973 0.462838 0.276428 O\n0.699683 0.163131 0.848256 O\n0.854025 0.537163 0.723570 O\n",
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{
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"structure_string": "Fe6 O5 F7\n1.0\n4.626468 -0.010549 0.013966\n0.114223 5.630617 -0.032819\n0.108132 0.606345 7.629779\nFe O F\n6 5 7\ndirect\n0.563492 0.818388 0.652350 Fe\n0.504354 0.515816 0.016281 Fe\n0.489515 0.171104 0.336279 Fe\n0.974473 0.337078 0.688971 Fe\n0.995421 0.668705 0.318722 Fe\n0.965852 0.976127 0.984530 Fe\n0.297418 0.473663 0.231652 O\n0.713097 0.868250 0.421114 O\n0.697673 0.537161 0.790450 O\n0.795539 0.694191 0.105941 O\n0.787880 0.045553 0.761935 O\n0.793576 0.365923 0.442123 F\n0.719221 0.202349 0.108752 F\n0.285684 0.130242 0.568735 F\n0.289401 0.799835 0.885153 F\n0.212252 0.971750 0.215792 F\n0.195858 0.625835 0.560238 F\n0.219289 0.298037 0.910988 F\n",
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}