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{
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"structure_string": "Ti4 Fe1 Co1 S8\n1.0\n5.826678 0.022755 0.001008\n-2.877072 5.527915 -1.690685\n-0.000417 -0.001883 6.762962\nTi Fe Co S\n4 1 1 8\ndirect\n0.734250 0.987059 0.372676 Ti\n0.265750 0.012942 0.627324 Ti\n0.733444 0.985961 0.870172 Ti\n0.266556 0.014039 0.129828 Ti\n-0.000000 0.500000 0.000000 Fe\n-0.000000 0.500000 0.500000 Co\n0.958803 0.738506 0.307249 S\n0.442366 0.726034 0.056611 S\n0.959255 0.737297 0.811664 S\n0.443973 0.727160 0.556548 S\n0.040745 0.262703 0.188337 S\n0.557635 0.273966 0.943390 S\n0.041197 0.261495 0.692751 S\n0.556028 0.272840 0.443453 S\n",
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{
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"updated_at": "2022-09-04T14:38:51.213301Z",
"structure_string": "Er2 B8 Ir8\n1.0\n5.403894 0.000000 0.000000\n0.000000 5.403894 0.000000\n0.000000 0.000000 7.474656\nEr B Ir\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.500000 0.828198 0.847607 B\n0.328199 0.000000 0.347607 B\n0.671800 0.000000 0.347607 B\n0.500000 0.171801 0.847607 B\n-0.000000 0.328199 0.652394 B\n0.171801 0.500000 0.152394 B\n0.828198 0.500000 0.152394 B\n-0.000000 0.671800 0.652394 B\n0.500000 0.749200 0.145295 Ir\n0.250799 0.500000 0.854705 Ir\n0.749200 0.500000 0.854705 Ir\n-0.000000 0.750799 0.354705 Ir\n-0.000000 0.249200 0.354705 Ir\n0.249200 0.000000 0.645296 Ir\n0.750799 0.000000 0.645296 Ir\n0.500000 0.250799 0.145295 Ir\n",
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{
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"structure_string": "Ti8 O12\n1.0\n5.108921 -0.000702 0.000129\n-2.553575 4.425214 0.000302\n-0.000504 -0.001197 9.655532\nTi O\n8 12\ndirect\n0.333337 0.666738 0.023254 Ti\n0.333366 0.666617 0.750000 Ti\n0.000006 0.999992 0.999998 Ti\n0.000008 0.000004 0.500002 Ti\n0.333287 0.666719 0.476746 Ti\n0.666652 0.333382 0.250000 Ti\n0.666685 0.333245 0.976743 Ti\n0.666735 0.333299 0.523257 Ti\n0.975035 0.652458 0.117952 O\n0.024934 0.677373 0.617965 O\n0.677387 0.024936 0.117971 O\n0.652458 0.975025 0.617967 O\n0.975085 0.322641 0.382039 O\n0.677403 0.652495 0.382083 O\n0.347522 0.322614 0.117919 O\n0.322616 0.347515 0.617917 O\n0.322632 0.975053 0.882029 O\n0.652496 0.677368 0.882076 O\n0.024984 0.347526 0.882044 O\n0.347560 0.024990 0.382037 O\n",
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{
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"structure_string": "Lu6 Sc2\n1.0\n6.870542 0.000000 -0.000000\n-3.435272 5.950064 -0.000000\n-0.000000 0.000000 5.339579\nLu Sc\n6 2\ndirect\n0.831655 0.168345 0.750000 Lu\n0.336691 0.168345 0.750000 Lu\n0.831655 0.663308 0.750000 Lu\n0.168345 0.831654 0.250000 Lu\n0.663309 0.831654 0.250000 Lu\n0.168345 0.336691 0.250000 Lu\n0.666667 0.333333 0.250000 Sc\n0.333333 0.666667 0.750000 Sc\n",
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{
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"updated_at": "2022-09-04T14:36:31.221182Z",
"structure_string": "Mg4 Sn2 Ir2 O12\n1.0\n0.000000 5.278839 0.002659\n5.381170 0.000000 0.000000\n0.000000 -5.261142 -7.687008\nMg Sn Ir O\n4 2 2 12\ndirect\n0.250141 0.045138 0.254484 Mg\n0.749859 0.545138 0.245516 Mg\n0.250142 0.454862 0.754484 Mg\n0.749859 0.954862 0.745516 Mg\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 -0.000000 Ir\n0.748098 0.171493 0.924399 O\n0.596941 0.675504 0.933653 O\n0.251903 0.671493 0.575601 O\n0.878143 0.912302 0.245475 O\n0.121857 0.087698 0.754525 O\n0.251902 0.828507 0.075601 O\n0.403060 0.324496 0.066347 O\n0.596940 0.824496 0.433653 O\n0.403060 0.175504 0.566347 O\n0.878143 0.587698 0.745475 O\n0.748098 0.328507 0.424399 O\n0.121857 0.412302 0.254525 O\n",
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{
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"created_at": "2022-09-04T14:36:55.992684Z",
"updated_at": "2022-09-04T14:36:55.992705Z",
"structure_string": "K2 In1 Bi1 F6\n1.0\n5.853043 -0.000000 3.379256\n1.951014 5.518302 3.379256\n-0.000000 -0.000000 6.758511\nK In Bi F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Bi\n0.762723 0.237277 0.237278 F\n0.237277 0.237277 0.762723 F\n0.237276 0.762723 0.762724 F\n0.237276 0.762723 0.237278 F\n0.762723 0.237277 0.762724 F\n0.762722 0.762723 0.237278 F\n",
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{
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"created_at": "2022-09-04T14:36:53.635012Z",
"updated_at": "2022-09-04T14:36:53.635032Z",
"structure_string": "Ca6 Hf1 O8\n1.0\n0.000000 4.778998 4.778998\n4.778998 -0.000000 4.778998\n4.778998 4.778998 -0.000000\nCa Hf O\n6 1 8\ndirect\n0.500000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Hf\n0.779739 0.220262 0.220262 O\n0.250000 0.250000 0.250000 O\n0.220262 0.779739 0.220262 O\n0.220262 0.220262 0.779739 O\n0.779739 0.220262 0.779739 O\n0.779739 0.779739 0.220262 O\n0.750000 0.750000 0.750000 O\n0.220262 0.779739 0.779739 O\n",
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{
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"created_at": "2022-09-04T14:38:10.554619Z",
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"structure_string": "Fe8 O14 F2\n1.0\n-4.303336 4.303336 5.734500\n0.064390 4.363306 -2.864091\n-4.363306 -0.064390 -2.864091\nFe O F\n8 14 2\ndirect\n0.619688 0.889724 0.871212 Fe\n0.880314 0.628789 0.610277 Fe\n0.500001 0.500000 0.500000 Fe\n0.250001 0.772442 0.727559 Fe\n0.750001 0.227559 0.272442 Fe\n0.119687 0.371212 0.389724 Fe\n0.380313 0.110277 0.128789 Fe\n0.000000 0.000000 0.000000 Fe\n0.000152 0.696428 0.304826 O\n-0.000151 0.303572 0.695174 O\n0.500152 0.804827 0.196428 O\n0.250000 0.059325 0.440675 O\n0.776755 0.024837 0.030831 O\n0.528087 0.274459 0.278208 O\n0.028087 0.778208 0.774459 O\n0.471915 0.725542 0.721792 O\n0.971915 0.221792 0.225542 O\n0.723246 0.469170 0.475163 O\n0.223246 0.975163 0.969170 O\n0.750001 0.940675 0.559326 O\n0.499849 0.195174 0.803573 O\n0.276755 0.530831 0.524837 O\n0.750001 0.549839 0.950162 F\n0.250000 0.450162 0.049839 F\n",
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{
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"created_at": "2022-09-04T14:38:49.923527Z",
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"structure_string": "Zn6 Ga4 N8\n1.0\n6.394453 -0.004368 -0.451940\n-6.879124 6.380427 0.000001\n-0.005315 -0.005731 5.355307\nZn Ga N\n6 4 8\ndirect\n0.228471 0.962447 0.099538 Zn\n0.771530 0.733976 0.400462 Zn\n0.771529 0.037553 0.900463 Zn\n0.228470 0.266024 0.599538 Zn\n0.000000 0.657164 0.750000 Zn\n0.000000 0.342836 0.250000 Zn\n0.573775 0.398959 0.134283 Ga\n0.426225 0.825184 0.365718 Ga\n0.573775 0.174816 0.634283 Ga\n0.426225 0.601041 0.865718 Ga\n0.377247 0.769656 0.994792 N\n0.201092 0.888987 0.487281 N\n0.798909 0.687895 0.012719 N\n0.798908 0.111013 0.512720 N\n0.201091 0.312105 0.987281 N\n0.622753 0.230344 0.005208 N\n0.377247 0.607591 0.494792 N\n0.622752 0.392409 0.505208 N\n",
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{
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"updated_at": "2022-09-04T14:36:49.893873Z",
"structure_string": "Sr4 Ti3 O10\n1.0\n3.891049 -0.000000 -0.534911\n-0.073535 3.890354 -0.534911\n0.000383 0.000391 14.422360\nSr Ti O\n4 3 10\ndirect\n0.702421 0.702421 0.404843 Sr\n0.431467 0.431467 0.862936 Sr\n0.568531 0.568532 0.137064 Sr\n0.297577 0.297578 0.595157 Sr\n0.140203 0.140203 0.280406 Ti\n0.859795 0.859796 0.719594 Ti\n0.000000 0.000000 0.000000 Ti\n0.861073 0.361073 0.722146 O\n0.138925 0.638926 0.277854 O\n0.930476 0.930477 0.860956 O\n0.069522 0.069522 0.139044 O\n-0.000001 0.499999 -0.000000 O\n0.500000 0.000000 0.000000 O\n0.209648 0.209648 0.419296 O\n0.790350 0.790351 0.580704 O\n0.638926 0.138926 0.277854 O\n0.361072 0.861073 0.722146 O\n",
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}