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{
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{
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"structure_string": "Mn1 Sn1 B2 O6\n1.0\n4.369392 -0.014845 3.838555\n1.728230 4.013108 3.838555\n-0.022639 -0.014845 5.815977\nMn Sn B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.500002 0.500000 Sn\n0.754059 0.754063 0.754061 B\n0.245940 0.245940 0.245940 B\n0.045014 0.744455 0.470218 O\n0.744452 0.470218 0.045016 O\n0.529781 0.954986 0.255548 O\n0.470215 0.045017 0.744454 O\n0.954985 0.255548 0.529782 O\n0.255545 0.529785 0.954986 O\n",
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{
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"structure_string": "Sr6 Zn2 Rh2 O12\n1.0\n6.699790 0.020373 -0.238839\n-0.248230 6.695221 -0.238839\n0.019572 0.020373 6.704016\nSr Zn Rh O\n6 2 2 12\ndirect\n0.884693 0.249999 0.615307 Sr\n0.384693 0.115306 0.750000 Sr\n0.750000 0.384693 0.115307 Sr\n0.115307 0.750000 0.384693 Sr\n0.615307 0.884693 0.250000 Sr\n0.250000 0.615306 0.884693 Sr\n0.750000 0.749999 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.500000 0.499999 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.091920 0.285638 0.959059 O\n0.785639 0.591920 0.459058 O\n0.540942 0.214361 0.408080 O\n0.408079 0.540941 0.214361 O\n0.214361 0.408079 0.540942 O\n0.714361 0.040941 0.908080 O\n0.908079 0.714361 0.040942 O\n0.040941 0.908079 0.714361 O\n0.459058 0.785638 0.591921 O\n0.591920 0.459058 0.785639 O\n0.959058 0.091920 0.285639 O\n0.285639 0.959058 0.091920 O\n",
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{
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"created_at": "2022-09-04T14:37:19.523060Z",
"updated_at": "2022-09-04T14:37:19.523084Z",
"structure_string": "Tl4 H4 C4 O8\n1.0\n5.762444 0.000000 0.000000\n0.000000 6.708775 0.000000\n0.000000 0.000000 8.016214\nTl H C O\n4 4 4 8\ndirect\n0.496168 0.500069 0.009087 Tl\n0.996168 -0.000069 0.509086 Tl\n0.003832 0.000069 0.009087 Tl\n0.503831 0.499931 0.509086 Tl\n0.500161 0.912237 0.759255 H\n0.499838 0.087764 0.259255 H\n0.000162 0.587764 0.259255 H\n-0.000162 0.412236 0.759255 H\n0.499956 0.921752 0.259108 C\n0.500043 0.078249 0.759108 C\n-0.000044 0.578249 0.759108 C\n0.000044 0.421751 0.259108 C\n0.837328 0.333518 0.336185 O\n0.337329 0.166483 0.836185 O\n0.662670 0.833518 0.336185 O\n0.162671 0.666483 0.836185 O\n0.162656 0.333573 0.181865 O\n0.337343 0.833573 0.181865 O\n0.837343 0.666428 0.681865 O\n0.662656 0.166427 0.681865 O\n",
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{
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"created_at": "2022-09-04T14:37:18.414536Z",
"updated_at": "2022-09-04T14:37:18.414554Z",
"structure_string": "Ca2 Bi2 As2 O12\n1.0\n0.000000 7.048916 0.133852\n5.164633 0.000000 0.000000\n0.000000 -1.873016 -7.247867\nCa Bi As O\n2 2 2 12\ndirect\n0.243246 0.775456 0.067616 Ca\n0.756755 0.275456 0.932385 Ca\n0.594303 0.220629 0.412951 Bi\n0.405698 0.720628 0.587049 Bi\n0.786470 0.804081 0.223127 As\n0.213530 0.304081 0.776874 As\n0.431115 0.484594 0.870567 O\n0.077019 0.372208 0.926498 O\n0.316175 0.999340 0.367466 O\n0.765448 0.472234 0.231351 O\n0.607141 0.023192 0.683059 O\n0.147049 0.460237 0.561929 O\n0.683825 0.499341 0.632535 O\n0.922982 0.872208 0.073503 O\n0.568885 0.984594 0.129433 O\n0.392860 0.523192 0.316942 O\n0.234552 0.972234 0.768650 O\n0.852951 0.960236 0.438072 O\n",
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{
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"created_at": "2022-09-04T14:37:33.835964Z",
"updated_at": "2022-09-04T14:37:33.835990Z",
"structure_string": "Te4 Mo1 W3 S4\n1.0\n3.382310 0.000000 0.000000\n-1.691155 2.929106 -0.000004\n0.000000 -0.000058 37.812119\nTe Mo W S\n4 1 3 4\ndirect\n0.333354 0.666712 0.707574 Te\n0.666643 0.333288 0.043881 Te\n0.666644 0.333287 0.144481 Te\n0.333353 0.666708 0.607050 Te\n0.666680 0.333362 0.281777 Mo\n0.333305 0.666612 0.094100 W\n0.333309 0.666621 0.469646 W\n0.666692 0.333383 0.657386 W\n0.333356 0.666717 0.321906 S\n0.666650 0.333300 0.429346 S\n0.666652 0.333302 0.509941 S\n0.333356 0.666714 0.241662 S\n",
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{
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"created_at": "2022-09-04T14:37:30.470022Z",
"updated_at": "2022-09-04T14:37:30.470038Z",
"structure_string": "Te4 Mo2 W2 Se4\n1.0\n3.451515 0.000000 -0.000000\n-1.725757 2.989119 -0.000009\n-0.000005 -0.000112 38.810383\nTe Mo W Se\n4 2 2 4\ndirect\n0.333355 0.666713 0.329766 Te\n0.333359 0.666721 0.705386 Te\n0.333351 0.666705 0.233884 Te\n0.333353 0.666712 0.609391 Te\n0.333304 0.666613 0.469607 Mo\n0.666683 0.333373 0.281762 Mo\n0.333312 0.666626 0.093927 W\n0.666691 0.333385 0.657527 W\n0.666640 0.333283 0.051870 Se\n0.666640 0.333284 0.427579 Se\n0.666645 0.333292 0.136262 Se\n0.666646 0.333297 0.511789 Se\n",
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"created_at": "2022-09-04T14:37:31.500607Z",
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"structure_string": "Li2 Be2 B2 O6\n1.0\n4.639841 0.001593 0.003013\n2.267852 4.114677 -0.015198\n1.826048 1.498429 5.352627\nLi Be B O\n2 2 2 6\ndirect\n0.745700 0.127963 0.663418 Li\n0.254299 0.872038 0.336582 Li\n0.360050 0.727304 0.841728 Be\n0.639949 0.272697 0.158271 Be\n0.072147 0.403006 0.767233 B\n0.927853 0.596994 0.232767 B\n0.332695 0.099758 0.759517 O\n0.667304 0.900242 0.240482 O\n0.124803 0.690483 0.706552 O\n0.875197 0.309517 0.293448 O\n0.744800 0.422385 0.837957 O\n0.255200 0.577616 0.162042 O\n",
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{
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"created_at": "2022-09-04T14:37:19.516496Z",
"updated_at": "2022-09-04T14:37:19.516515Z",
"structure_string": "Ca1 Fe2 Si4 O12\n1.0\n5.122383 -0.047558 1.166955\n1.399816 6.248190 0.531749\n-0.000060 0.069600 6.424739\nCa Fe Si O\n1 2 4 12\ndirect\n0.250000 0.699450 0.300550 Ca\n0.750000 0.917408 0.082592 Fe\n0.250000 0.090362 0.909638 Fe\n0.265655 0.201625 0.391783 Si\n0.777062 0.384048 0.197580 Si\n0.722938 0.802420 0.615952 Si\n0.234345 0.608218 0.798375 Si\n0.004321 0.640391 0.654357 O\n0.003883 0.378355 0.339062 O\n0.812839 0.897404 0.373549 O\n0.687162 0.626451 0.102596 O\n0.874383 0.183445 0.034715 O\n0.138125 0.805646 0.968726 O\n0.495680 0.345643 0.359609 O\n0.361876 0.031274 0.194354 O\n0.293553 0.376074 0.913233 O\n0.625618 0.965285 0.816555 O\n0.206447 0.086767 0.623926 O\n0.496118 0.660937 0.621646 O\n",
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"structure_string": "Li4 Fe6 Ni2 O16\n1.0\n5.582607 0.000002 0.000047\n-2.791302 4.834675 -0.000096\n0.000124 -0.000215 9.383512\nLi Fe Ni O\n4 6 2 16\ndirect\n0.333332 0.666682 0.896407 Li\n0.000081 0.000050 0.995486 Li\n0.999918 0.999968 0.495486 Li\n0.666667 0.333349 0.396407 Li\n0.826561 0.653151 0.713177 Fe\n0.346821 0.173421 0.713166 Fe\n0.826562 0.173427 0.713175 Fe\n0.173438 0.346865 0.213174 Fe\n0.173439 0.826591 0.213177 Fe\n0.653179 0.826601 0.213166 Fe\n0.333303 0.666662 0.490519 Ni\n0.666696 0.333358 0.990519 Ni\n0.322911 0.161462 0.105024 O\n0.838605 0.677166 0.104999 O\n0.666645 0.333326 0.598991 O\n0.517352 0.034746 0.836366 O\n0.517358 0.482636 0.836368 O\n0.677089 0.838551 0.605023 O\n0.482647 0.517394 0.336366 O\n0.034737 0.517383 0.336363 O\n0.161402 0.322855 0.605002 O\n0.999996 0.000013 0.808878 O\n0.000002 0.000017 0.308877 O\n0.333355 0.666682 0.098991 O\n0.965263 0.482644 0.836363 O\n0.161396 0.838562 0.604999 O\n0.482642 0.965279 0.336368 O\n0.838598 0.161453 0.105002 O\n",
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}