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"structure_string": "Ba1 Co2 P2 O8\n1.0\n4.814443 -0.003360 -0.006183\n-2.404793 4.174879 -0.003106\n-2.394770 -1.376480 7.882704\nBa Co P O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.336524 0.167848 0.505320 Co\n0.663476 0.832152 0.494679 Co\n0.149367 0.574671 0.724277 P\n0.850633 0.425329 0.275722 P\n0.902226 0.144011 0.340630 O\n0.278542 0.639197 0.917782 O\n0.721458 0.360803 0.082217 O\n0.583063 0.438950 0.341057 O\n0.097774 0.855989 0.659369 O\n0.802972 0.241957 0.659370 O\n0.197028 0.758043 0.340629 O\n0.416936 0.561050 0.658943 O\n",
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"structure_string": "Rb4 Bi4 F16\n1.0\n7.339501 0.000011 4.237484\n2.446554 6.919725 4.237409\n0.000045 -0.000061 8.474888\nRb Bi F\n4 4 16\ndirect\n0.000006 0.499986 0.000005 Rb\n0.000006 0.000003 0.000004 Rb\n0.499986 0.000005 0.000002 Rb\n0.000002 0.000005 0.499988 Rb\n0.500000 0.499999 0.000001 Bi\n0.000000 0.499999 0.500001 Bi\n0.500000 0.500000 0.500001 Bi\n0.500000 0.000001 0.499999 Bi\n0.160726 0.589274 0.589275 F\n0.625000 0.624999 0.625001 F\n0.410729 0.839269 0.410729 F\n0.874999 0.874998 0.875002 F\n0.160724 0.160726 0.589275 F\n0.589274 0.160725 0.160725 F\n0.124997 0.125003 0.125000 F\n0.589273 0.589273 0.160728 F\n0.160725 0.589273 0.160727 F\n0.410729 0.839270 0.839272 F\n0.839271 0.839270 0.410730 F\n0.589272 0.160728 0.589273 F\n0.839271 0.410728 0.410728 F\n0.839272 0.410729 0.839272 F\n0.410727 0.410730 0.839269 F\n0.374998 0.374999 0.375000 F\n",
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{
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"structure_string": "Sc2 Co2 C4\n1.0\n3.365466 0.000000 0.000000\n0.000000 3.365466 -0.000000\n0.000000 -0.000000 7.176250\nSc Co C\n2 2 4\ndirect\n0.500001 0.000000 0.345996 Sc\n0.000000 0.500001 0.654004 Sc\n0.000000 0.000000 0.000000 Co\n0.500001 0.500001 0.000000 Co\n0.000000 0.500001 0.151367 C\n0.500001 0.000000 0.652743 C\n0.500001 0.000000 0.848633 C\n0.000000 0.500001 0.347257 C\n",
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{
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"created_at": "2022-09-04T14:37:46.157111Z",
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"structure_string": "Cu1 Bi1 W2 O8\n1.0\n5.053386 0.011524 0.005820\n-2.375638 5.625630 -0.022274\n-0.185695 -2.294140 5.734487\nCu Bi W O\n1 1 2 8\ndirect\n0.861250 0.901091 0.788304 Cu\n0.361617 0.901345 0.288719 Bi\n0.116876 0.422746 0.620739 W\n0.606262 0.379907 0.956672 W\n0.329941 0.211284 0.626137 O\n0.823776 0.198553 0.810930 O\n0.361689 0.648599 0.512166 O\n0.857401 0.628456 0.217826 O\n0.865908 0.174283 0.359497 O\n0.393119 0.591327 0.951339 O\n0.899271 0.604044 0.766357 O\n0.361684 0.154164 0.065420 O\n",
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"created_at": "2022-09-04T14:37:42.389719Z",
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"structure_string": "Mn4 F8\n1.0\n5.232172 -0.000014 0.000283\n-0.000013 5.232027 0.000355\n0.000290 0.000359 5.200528\nMn F\n4 8\ndirect\n0.500033 0.500059 -0.000006 Mn\n0.000004 0.000008 0.000004 Mn\n-0.000008 0.499977 0.500005 Mn\n0.499987 0.000003 0.500005 Mn\n0.279931 0.720134 0.744504 F\n0.720072 0.279892 0.744537 F\n0.779824 0.779775 0.745242 F\n0.220195 0.220246 0.745154 F\n0.720059 0.720111 0.255532 F\n0.779806 0.220224 0.254820 F\n0.220185 0.779731 0.254787 F\n0.279912 0.279849 0.255420 F\n",
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{
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"created_at": "2022-09-04T14:37:49.668206Z",
"updated_at": "2022-09-04T14:37:49.668220Z",
"structure_string": "Pb2 Cl4 O8\n1.0\n5.453252 0.000000 -2.618468\n0.000000 6.034343 0.000000\n-0.033337 0.000000 6.918309\nPb Cl O\n2 4 8\ndirect\n0.749999 0.250000 0.500000 Pb\n0.250000 0.750000 0.500000 Pb\n0.069749 0.250000 0.139498 Cl\n0.569749 0.750000 0.139497 Cl\n0.930250 0.750000 0.860502 Cl\n0.430251 0.250000 0.860502 Cl\n0.203287 0.097880 0.716807 O\n0.513520 0.402120 0.716807 O\n0.703287 0.902120 0.716807 O\n0.796712 0.902120 0.283192 O\n0.486480 0.597880 0.283192 O\n0.986479 0.402120 0.283192 O\n0.296712 0.097880 0.283192 O\n0.013520 0.597880 0.716807 O\n",
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"structure_string": "Y2 Cl2 O2\n1.0\n4.010166 0.000000 0.000000\n0.000000 4.010166 0.000000\n0.000000 -0.000000 6.471536\nY Cl O\n2 2 2\ndirect\n0.500001 0.000000 0.702240 Y\n0.000000 0.500001 0.297760 Y\n0.500001 0.500001 0.000000 Cl\n0.000000 0.000000 0.000000 Cl\n0.000000 0.500001 0.617743 O\n0.500001 0.000000 0.382257 O\n",
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{
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"structure_string": "Ni2 F6\n1.0\n4.238851 0.016722 2.932637\n1.546008 3.946898 2.932636\n0.024406 0.016724 5.154379\nNi F\n2 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500001 0.499999 0.500001 Ni\n0.610536 0.244091 0.899063 F\n0.899063 0.610535 0.244094 F\n0.244094 0.899062 0.610536 F\n0.389465 0.755907 0.100938 F\n0.100939 0.389464 0.755908 F\n0.755908 0.100937 0.389466 F\n",
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"structure_string": "Cu1 O2\n1.0\n2.747461 0.000000 0.657945\n1.373730 3.058696 0.328972\n0.337229 0.000000 4.657217\nCu O\n1 2\ndirect\n0.250000 0.500001 0.500000 Cu\n0.621170 0.500001 0.757658 O\n0.878829 0.500001 0.242341 O\n",
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{
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"structure_string": "Sb2 S16 Cl6\n1.0\n8.067086 -0.153858 0.024194\n-3.052966 7.976211 0.175391\n-3.261653 -2.143705 9.827920\nSb S Cl\n2 16 6\ndirect\n0.811920 0.076941 0.845582 Sb\n0.188080 0.923058 0.154417 Sb\n0.161734 0.236182 0.649668 S\n0.838266 0.763817 0.350332 S\n0.348226 0.490025 0.740962 S\n0.651774 0.509974 0.259038 S\n0.288951 0.549401 0.909669 S\n0.711049 0.450598 0.090331 S\n0.885477 0.319471 0.140594 S\n0.114523 0.680528 0.859406 S\n0.936526 0.235562 0.490840 S\n0.291449 0.802779 0.443634 S\n0.708551 0.197220 0.556366 S\n0.299312 0.568976 0.389480 S\n0.700688 0.431023 0.610520 S\n0.166711 0.493591 0.182267 S\n0.833289 0.506408 0.817733 S\n0.063474 0.764437 0.509160 S\n0.756280 0.846627 0.670866 Cl\n0.484023 0.038892 0.792723 Cl\n0.515977 0.961107 0.207277 Cl\n0.772770 0.880086 0.006740 Cl\n0.227230 0.119913 -0.006740 Cl\n0.243720 0.153372 0.329133 Cl\n",
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}