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"structure_string": "Sr3 Mn4 O12\n1.0\n2.711445 -4.696361 -0.000000\n2.711445 4.696361 0.000000\n-0.000000 0.000000 9.113668\nSr Mn O\n3 4 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.333334 0.666668 0.240514 Sr\n0.666668 0.333334 0.759486 Sr\n0.333334 0.666668 0.893046 Mn\n0.333334 0.666668 0.614463 Mn\n0.666668 0.333334 0.385537 Mn\n0.666668 0.333334 0.106955 Mn\n0.816927 0.633853 0.251429 O\n0.500000 0.000000 0.000000 O\n0.366149 0.183075 0.251429 O\n0.500001 0.500001 0.500000 O\n0.500001 0.500001 0.000000 O\n0.500000 0.000000 0.500000 O\n0.183075 0.366149 0.748571 O\n0.816926 0.183076 0.251429 O\n0.183076 0.816926 0.748571 O\n0.000000 0.500000 0.500000 O\n0.633853 0.816927 0.748571 O\n0.000000 0.500000 0.000000 O\n",
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"structure_string": "Ti3 Nb1 Cu3 O12\n1.0\n-3.749835 3.722271 3.722271\n3.722271 -3.749835 3.722271\n3.722271 3.722271 -3.749835\nTi Nb Cu O\n3 1 3 12\ndirect\n0.500000 -0.000000 -0.000000 Ti\n-0.000000 0.500000 -0.000000 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.499999 0.499999 0.499999 Nb\n0.500000 0.500000 -0.000001 Cu\n0.500000 -0.000001 0.500000 Cu\n-0.000001 0.500000 0.500000 Cu\n0.133996 0.820278 0.313578 O\n0.688019 0.508631 0.825382 O\n0.313578 0.133996 0.820278 O\n0.174616 0.311980 0.491368 O\n0.825382 0.688019 0.508631 O\n0.866002 0.179720 0.686420 O\n0.686420 0.866002 0.179720 O\n0.508631 0.825382 0.688019 O\n0.491368 0.174616 0.311980 O\n0.820278 0.313578 0.133996 O\n0.311980 0.491368 0.174616 O\n0.179720 0.686420 0.866002 O\n",
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"structure_string": "H6 C10 S3\n1.0\n3.900310 0.029742 -0.002253\n-1.182608 6.111640 -0.004046\n0.004987 0.008102 9.683660\nH C S\n6 10 3\ndirect\n0.649347 0.709462 0.077880 H\n0.767603 0.146737 0.231694 H\n0.049618 0.190079 0.681289 H\n0.048746 0.190096 0.474689 H\n0.768425 0.146720 0.924284 H\n0.444699 0.433831 0.077880 H\n0.252148 0.650209 0.577903 C\n0.701996 0.541797 0.077896 C\n0.140216 0.545487 0.708021 C\n0.879848 0.502092 0.210972 C\n0.879949 0.502097 0.944851 C\n0.027730 0.328794 0.746229 C\n0.882709 0.304385 0.275947 C\n0.883212 0.304385 0.879962 C\n0.027222 0.328802 0.409681 C\n0.140106 0.545485 0.447807 C\n0.071698 0.718282 0.843757 S\n0.071941 0.718266 0.311995 S\n0.457264 0.911540 0.577889 S\n",
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{
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"updated_at": "2022-09-04T14:37:02.003046Z",
"structure_string": "Ag6 Mo2 Cl1 O7 F3\n1.0\n3.731795 -6.463659 -0.000000\n3.731795 6.463659 0.000000\n0.000000 0.000000 5.942608\nAg Mo Cl O F\n6 2 1 7 3\ndirect\n0.821425 0.178574 0.818505 Ag\n0.495107 0.504892 0.262500 Ag\n0.009786 0.504892 0.262500 Ag\n0.357148 0.178574 0.818505 Ag\n0.821425 0.642851 0.818505 Ag\n0.495106 0.990213 0.262500 Ag\n0.333332 0.666666 0.749371 Mo\n0.000000 0.000000 0.322317 Mo\n0.666666 0.333332 0.504144 Cl\n0.078728 0.539364 0.867370 O\n0.247650 0.123824 0.189594 O\n0.460635 0.921270 0.867370 O\n0.876175 0.123824 0.189594 O\n0.876174 0.752349 0.189594 O\n0.460635 0.539363 0.867370 O\n0.333332 0.666666 0.442474 O\n0.117329 0.882670 0.569080 F\n0.117329 0.234660 0.569080 F\n0.765338 0.882669 0.569080 F\n",
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{
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"structure_string": "Zn1 B2 C8 N8\n1.0\n7.498800 -0.000000 -0.000000\n-3.749400 6.494152 -0.000000\n-0.000000 0.000000 5.898013\nZn B C N\n1 2 8 8\ndirect\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.131697 B\n0.333333 0.666667 0.868303 B\n0.333333 0.666667 0.136606 C\n0.218503 0.437006 0.775864 C\n0.562994 0.781497 0.775864 C\n0.218503 0.781497 0.775864 C\n0.437006 0.218503 0.224136 C\n0.781497 0.218503 0.224136 C\n0.666667 0.333333 0.863393 C\n0.781497 0.562994 0.224136 C\n0.864920 0.135080 0.292998 N\n0.666667 0.333333 0.666513 N\n0.270161 0.135080 0.292998 N\n0.729838 0.864920 0.707001 N\n0.135080 0.864920 0.707001 N\n0.333333 0.666667 0.333487 N\n0.135080 0.270161 0.707001 N\n0.864920 0.729838 0.292998 N\n",
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"structure_string": "Yb2 Cu1 Ge4 O12\n1.0\n-4.843031 0.022385 0.006541\n1.722022 7.003964 -0.054925\n-0.398633 -3.085972 -7.245844\nYb Cu Ge O\n2 1 4 12\ndirect\n0.931468 0.763384 0.544219 Yb\n0.068531 0.236616 0.455780 Yb\n0.000000 0.000000 0.000000 Cu\n0.461377 0.831245 0.224563 Ge\n0.538623 0.168755 0.775436 Ge\n0.408327 0.622199 0.801033 Ge\n0.591673 0.377801 0.198966 Ge\n0.241295 0.984890 0.806743 O\n0.766526 0.767225 0.824770 O\n0.233474 0.232775 0.175229 O\n0.241345 0.705504 0.015276 O\n0.381112 0.347462 0.731595 O\n0.252608 0.595856 0.595840 O\n0.747392 0.404144 0.404159 O\n0.758704 0.015110 0.193256 O\n0.756683 0.058100 0.602753 O\n0.243317 0.941900 0.397245 O\n0.618888 0.652538 0.268404 O\n0.758655 0.294496 0.984723 O\n",
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"structure_string": "Ba3 La1 Nb3 O12\n1.0\n5.545522 -0.005283 8.162369\n2.506570 4.946710 8.162369\n-0.008609 -0.005283 9.867979\nBa La Nb O\n3 1 3 12\ndirect\n0.710453 0.710455 0.710454 Ba\n0.288681 0.288681 0.288681 Ba\n0.131730 0.131731 0.131730 Ba\n0.855875 0.855877 0.855876 La\n0.575057 0.575058 0.575058 Nb\n0.424467 0.424468 0.424468 Nb\n0.999194 0.999196 0.999195 Nb\n0.626310 0.123136 0.626311 O\n0.877062 0.377207 0.377206 O\n0.377206 0.377207 0.877062 O\n0.377206 0.877063 0.377206 O\n0.289069 0.794760 0.794759 O\n0.711106 0.208807 0.208807 O\n0.794758 0.289071 0.794759 O\n0.626310 0.626311 0.123135 O\n0.208806 0.208807 0.711106 O\n0.208807 0.711106 0.208807 O\n0.794759 0.794760 0.289070 O\n0.123134 0.626311 0.626311 O\n",
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"structure_string": "Pr2 Al2 Fe15\n1.0\n6.345331 0.006594 0.869247\n0.759175 6.299756 0.869247\n0.007429 0.006594 6.404589\nPr Al Fe\n2 2 15\ndirect\n0.652725 0.652725 0.652726 Pr\n0.347275 0.347275 0.347275 Pr\n0.898369 0.898369 0.898371 Al\n0.101630 0.101630 0.101630 Al\n0.661757 0.661758 0.157857 Fe\n0.338242 0.842143 0.338243 Fe\n0.842143 0.338242 0.338243 Fe\n0.338242 0.338242 0.842144 Fe\n0.284880 0.715120 0.000001 Fe\n0.715120 -0.000001 0.284881 Fe\n0.284880 -0.000001 0.715120 Fe\n0.157856 0.661758 0.661758 Fe\n-0.000001 0.715120 0.284881 Fe\n0.715119 0.284880 0.000001 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n-0.000000 0.284880 0.715120 Fe\n0.661758 0.157856 0.661758 Fe\n",
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{
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"created_at": "2022-09-04T14:38:32.421025Z",
"updated_at": "2022-09-04T14:38:32.421035Z",
"structure_string": "Sn7 S2 Br10\n1.0\n12.330613 0.031336 -0.105244\n-6.109579 10.707481 0.054806\n0.037629 -0.000960 4.264932\nSn S Br\n7 2 10\ndirect\n0.175966 0.791624 0.268096 Sn\n0.214276 0.429123 0.269301 Sn\n0.047537 0.048796 0.272235 Sn\n0.593974 0.829718 0.278977 Sn\n0.433295 0.126096 0.752578 Sn\n0.695918 0.532693 0.680895 Sn\n0.852414 0.262539 0.745846 Sn\n0.269669 0.031862 0.262513 S\n-0.012342 0.244914 0.261088 S\n0.764442 0.738894 0.255576 Br\n0.503566 0.375131 0.266812 Br\n0.789339 -0.011478 0.766519 Br\n0.482474 0.631189 0.763503 Br\n0.022024 0.810936 0.766113 Br\n0.387188 0.867744 0.765593 Br\n0.129914 0.529863 0.769250 Br\n0.630104 0.125187 0.269879 Br\n0.208626 0.224858 0.768904 Br\n0.855117 0.486410 0.278230 Br\n",
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{
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"updated_at": "2022-09-04T14:38:31.446749Z",
"structure_string": "Ba2 Mg17\n1.0\n7.961504 0.003341 1.000153\n0.882785 7.912411 1.000153\n0.003733 0.003341 8.024079\nBa Mg\n2 17\ndirect\n0.337464 0.337464 0.337464 Ba\n0.662536 0.662535 0.662535 Ba\n0.845661 0.346995 0.346994 Mg\n0.154339 0.653005 0.653005 Mg\n0.653005 0.653005 0.154338 Mg\n0.653005 0.154339 0.653005 Mg\n0.292829 -0.000000 0.707170 Mg\n0.000000 0.707170 0.292829 Mg\n0.707170 0.292830 -0.000000 Mg\n0.346995 0.346995 0.845661 Mg\n0.292830 0.707170 -0.000000 Mg\n0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n-0.000000 -0.000000 0.500000 Mg\n0.901917 0.901917 0.901916 Mg\n0.098083 0.098083 0.098083 Mg\n0.346995 0.845661 0.346994 Mg\n-0.000000 0.292830 0.707170 Mg\n0.707170 -0.000000 0.292830 Mg\n",
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]
}