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"structure_string": "Na4 Ca6 Si6 O20\n1.0\n5.172452 0.000000 -0.000000\n-2.586226 8.161291 -0.410955\n-0.000000 0.004919 11.375659\nNa Ca Si O\n4 6 6 20\ndirect\n0.723688 0.913585 0.034344 Na\n0.189896 0.913585 0.534344 Na\n0.810103 0.086415 0.465656 Na\n0.276311 0.086415 0.965656 Na\n0.085203 0.696480 0.792011 Ca\n0.611277 0.696480 0.292011 Ca\n-0.000000 0.500000 0.500000 Ca\n0.388722 0.303520 0.707989 Ca\n0.914796 0.303520 0.207989 Ca\n0.499999 0.500000 0.000000 Ca\n0.463039 0.302909 0.397195 Si\n0.839869 0.302909 0.897195 Si\n0.536960 0.697091 0.602805 Si\n0.160130 0.697091 0.102805 Si\n0.795182 0.000000 0.750000 Si\n0.204818 0.000000 0.250000 Si\n0.080130 0.087382 0.150379 O\n0.236513 0.544510 0.162303 O\n0.763486 0.455490 0.837697 O\n0.348424 0.864681 0.185351 O\n0.153743 0.310669 0.391313 O\n0.843074 0.689331 0.108688 O\n0.307996 0.544510 0.662303 O\n0.992747 0.912618 0.349622 O\n0.846255 0.689331 0.608688 O\n0.581171 0.282237 0.527351 O\n0.701066 0.282237 0.027351 O\n0.516257 0.864682 0.685351 O\n0.418828 0.717763 0.472649 O\n0.483742 0.135318 0.314650 O\n0.007252 0.087382 0.650379 O\n0.919869 0.912618 0.849622 O\n0.651575 0.135319 0.814650 O\n0.156925 0.310669 0.891313 O\n0.298933 0.717763 0.972649 O\n0.692003 0.455490 0.337697 O\n",
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"structure_string": "Cu2 H12 Br2 N4\n1.0\n-2.430667 0.000024 5.176654\n6.827289 -0.000126 0.152849\n3.413528 6.324428 0.076399\nCu H Br N\n2 12 2 4\ndirect\n-0.000023 -0.000008 -0.000036 Cu\n0.499977 -0.000044 0.000035 Cu\n0.212996 0.825218 0.770508 H\n0.286999 0.404254 0.770503 H\n0.513614 0.860519 0.743481 H\n0.986401 0.396013 0.743481 H\n0.411963 0.092028 0.617617 H\n0.088027 0.290396 0.617571 H\n0.911974 0.709655 0.382381 H\n0.013620 0.604015 0.256503 H\n0.486405 0.139494 0.256532 H\n0.713001 0.595736 0.229485 H\n0.787004 0.174761 0.229504 H\n0.588036 0.907976 0.382428 H\n0.250008 0.365908 0.268183 Br\n0.750001 0.634082 0.731816 Br\n0.098166 0.302485 0.757174 N\n0.598171 0.059662 0.242832 N\n0.901830 0.697532 0.242793 N\n0.401825 0.940322 0.757198 N\n",
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{
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"updated_at": "2022-09-04T14:37:28.090436Z",
"structure_string": "Ba1 Ca1 V4 O8\n1.0\n2.740067 -4.745935 0.000000\n2.740067 4.745935 0.000000\n0.000000 0.000000 7.680132\nBa Ca V O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666668 0.758400 V\n0.666668 0.333333 0.758400 V\n0.333333 0.666668 0.241600 V\n0.666668 0.333333 0.241600 V\n0.667616 0.000000 0.693836 O\n0.000000 0.667616 0.693836 O\n0.332385 0.332385 0.693836 O\n0.332385 0.000000 0.306164 O\n0.667616 0.667616 0.306164 O\n0.000000 0.332385 0.306164 O\n0.333333 0.666668 0.000000 O\n0.666668 0.333333 0.000000 O\n",
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{
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"structure_string": "Ba2 Y1 Mn3 O7\n1.0\n3.915834 0.000000 0.000000\n-0.000000 3.953455 0.000000\n0.000000 0.000000 11.582846\nBa Y Mn O\n2 1 3 7\ndirect\n0.500000 0.500001 0.823335 Ba\n0.500000 0.500001 0.176666 Ba\n0.500000 0.500001 0.500000 Y\n0.000000 0.000000 0.650837 Mn\n0.000000 0.000000 0.349164 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500001 0.000000 O\n0.500000 0.000000 0.623476 O\n0.500000 0.000000 0.376524 O\n0.000000 0.500001 0.623316 O\n0.000000 0.500001 0.376684 O\n0.000000 0.000000 0.832354 O\n0.000000 0.000000 0.167647 O\n",
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"structure_string": "Ba4 Pr2 Ir2 O12\n1.0\n6.085285 -0.000000 0.000000\n0.000000 6.085285 -0.000000\n-0.000000 -0.000000 8.613992\nBa Pr Ir O\n4 2 2 12\ndirect\n0.500000 0.000000 0.250000 Ba\n0.500000 0.000000 0.750000 Ba\n0.000000 0.500000 0.750000 Ba\n0.000000 0.500000 0.250000 Ba\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.740015 0.279964 0.500000 O\n0.259985 0.720036 0.500000 O\n0.500000 0.500000 0.730105 O\n0.000000 0.000000 0.230105 O\n0.279964 0.259985 0.500000 O\n0.500000 0.500000 0.269895 O\n0.220036 0.759986 0.000000 O\n0.000000 0.000000 0.769895 O\n0.759986 0.779965 0.000000 O\n0.779965 0.240015 0.000000 O\n0.720036 0.740015 0.500000 O\n0.240015 0.220036 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:34.438779Z",
"updated_at": "2022-09-04T14:37:34.438806Z",
"structure_string": "Na2 Pr4 Ir2 O12\n1.0\n0.000000 5.551940 -0.001057\n6.007028 0.000000 0.000000\n0.000000 -5.435165 -7.995294\nNa Pr Ir O\n2 4 2 12\ndirect\n-0.000001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.773737 0.425531 0.752232 Pr\n0.773737 0.074469 0.252232 Pr\n0.226262 0.925532 0.747768 Pr\n0.226263 0.574469 0.247768 Pr\n0.500000 0.000000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.153048 0.823652 0.449036 O\n0.846951 0.323652 0.050965 O\n0.620493 0.457200 0.234518 O\n0.379507 0.957200 0.265482 O\n0.379506 0.542800 0.765482 O\n0.271505 0.216759 0.937061 O\n0.728494 0.783241 0.062939 O\n0.271506 0.283241 0.437061 O\n0.153048 0.676349 0.949035 O\n0.728493 0.716759 0.562939 O\n0.620492 0.042800 0.734518 O\n0.846951 0.176348 0.550964 O\n",
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{
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"updated_at": "2022-09-04T14:37:28.843970Z",
"structure_string": "Sr2 Co1 Re1 O6\n1.0\n4.819936 -0.000001 -2.763044\n-1.583924 4.552248 -2.763045\n0.018483 0.026003 5.617785\nSr Co Re O\n2 1 1 6\ndirect\n0.250001 0.750000 0.499999 Sr\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Co\n0.500001 0.500000 0.000001 Re\n0.702160 0.783040 0.000001 O\n0.216962 0.702159 0.000000 O\n0.783040 0.297841 0.000001 O\n0.297841 0.216961 0.000000 O\n0.258353 0.258353 0.516705 O\n0.741648 0.741647 0.483295 O\n",
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{
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"created_at": "2022-09-04T14:37:28.119556Z",
"updated_at": "2022-09-04T14:37:28.119582Z",
"structure_string": "Ba8 Bi4 H2 O1\n1.0\n-5.277575 -0.000000 -0.000000\n-0.000000 -5.277575 -0.000000\n2.638789 2.638789 19.191023\nBa Bi H O\n8 4 2 1\ndirect\n0.500000 0.000000 0.000000 Ba\n0.000000 0.500000 0.000000 Ba\n0.083745 0.083745 0.167490 Ba\n0.659727 0.659727 0.319455 Ba\n0.750001 0.250000 0.500000 Ba\n0.250000 0.750001 0.500000 Ba\n0.340273 0.340273 0.680544 Ba\n0.916256 0.916256 0.832511 Ba\n0.567296 0.567296 0.134591 Bi\n0.179044 0.179044 0.358088 Bi\n0.820955 0.820955 0.641911 Bi\n0.432704 0.432704 0.865408 Bi\n0.729283 0.729283 0.458565 H\n0.270717 0.270717 0.541434 H\n0.000000 0.000000 0.000000 O\n",
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"structure_string": "Te6 Mo2 W2 S2\n1.0\n3.453266 -0.000000 0.000001\n-1.726633 2.990654 0.000025\n0.000014 0.000337 39.335739\nTe Mo W S\n6 2 2 2\ndirect\n0.333360 0.666720 0.704915 Te\n0.666642 0.333282 0.046786 Te\n0.666649 0.333296 0.422406 Te\n0.666643 0.333283 0.141145 Te\n0.666649 0.333296 0.516813 Te\n0.333354 0.666708 0.610173 Te\n0.333314 0.666626 0.093858 Mo\n0.333296 0.666593 0.469663 Mo\n0.666697 0.333396 0.281772 W\n0.666690 0.333379 0.657623 W\n0.333356 0.666712 0.319837 S\n0.333353 0.666705 0.243756 S\n",
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{
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"updated_at": "2022-09-04T14:37:16.148331Z",
"structure_string": "Zn2 Cr2 Si4 O12\n1.0\n5.175558 0.165729 1.245156\n1.517016 6.669912 0.445026\n0.196918 -0.215300 6.848503\nZn Cr Si O\n2 2 4 12\ndirect\n0.750001 0.240430 0.759570 Zn\n0.250002 0.759570 0.240432 Zn\n0.249999 0.100834 0.899166 Cr\n0.750000 0.899168 0.100834 Cr\n0.233205 0.218062 0.387400 Si\n0.266795 0.612600 0.781938 Si\n0.733205 0.387400 0.218063 Si\n0.766796 0.781938 0.612600 Si\n0.646537 0.966228 0.787302 O\n0.853465 0.212698 0.033772 O\n0.622967 0.615338 0.145036 O\n0.877034 0.854966 0.384663 O\n0.377034 0.384661 0.854965 O\n0.020840 0.619033 0.675167 O\n0.979161 0.380967 0.324834 O\n0.520841 0.675167 0.619035 O\n0.353464 0.033772 0.212699 O\n0.479162 0.324834 0.380966 O\n0.122967 0.145034 0.615338 O\n0.146537 0.787302 0.966228 O\n",
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{
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"created_at": "2022-09-04T14:37:16.150057Z",
"updated_at": "2022-09-04T14:37:16.150076Z",
"structure_string": "Cu3 Sn4 Pb1 O12\n1.0\n6.753336 -0.002230 0.001847\n-2.249049 6.367857 -0.002984\n-2.253622 -3.180728 5.514561\nCu Sn Pb O\n3 4 1 12\ndirect\n0.000014 0.500018 0.499986 Cu\n0.499974 0.499957 0.000013 Cu\n0.499984 0.000006 0.499984 Cu\n0.999987 0.500016 -0.000006 Sn\n-0.000013 0.999990 0.499978 Sn\n0.500033 0.999987 0.999993 Sn\n0.500039 0.500045 0.500050 Sn\n0.000155 0.000119 0.000052 Pb\n0.312174 0.173185 0.485353 O\n0.173190 0.485369 0.312172 O\n0.826842 0.514638 0.687804 O\n0.687786 0.173189 0.860973 O\n0.514576 0.687750 0.826815 O\n0.312173 0.826839 0.138994 O\n0.138980 0.312135 0.826846 O\n0.485326 0.312145 0.173192 O\n0.860963 0.687758 0.173207 O\n0.687790 0.826824 0.514602 O\n0.826836 0.139028 0.312194 O\n0.173207 0.861008 0.687808 O\n",
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{
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"created_at": "2022-09-04T14:37:34.790532Z",
"updated_at": "2022-09-04T14:37:34.790553Z",
"structure_string": "Li6 Cr3 Fe3 O12\n1.0\n4.967746 0.006616 0.003047\n0.818400 6.401027 0.047124\n0.822961 0.630702 6.369763\nLi Cr Fe O\n6 3 3 12\ndirect\n0.498300 0.163906 0.834461 Li\n0.499393 0.496765 0.500436 Li\n0.000581 -0.000462 0.003198 Li\n0.993052 0.338237 0.663922 Li\n0.506936 0.836139 0.161767 Li\n0.001712 0.665536 0.336089 Li\n0.750007 0.413742 0.086280 Cr\n0.250007 0.583910 0.916069 Cr\n0.250017 0.921055 0.578940 Cr\n0.750128 0.081299 0.418720 Fe\n0.249826 0.246485 0.253501 Fe\n0.750039 0.753824 0.746175 Fe\n0.120967 0.637990 0.633956 O\n0.877041 0.032998 0.695446 O\n0.623128 0.471016 0.802558 O\n0.879912 0.357899 0.366618 O\n0.876890 0.697471 0.028983 O\n0.619869 0.133492 0.142268 O\n0.384045 0.198828 0.529957 O\n0.379106 0.866030 0.861976 O\n0.623060 0.804642 0.467021 O\n0.121743 0.300866 0.971436 O\n0.378201 0.528464 0.199111 O\n0.116047 0.969877 0.301106 O\n",
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}