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"structure_string": "Na4 Sr1 Ca1 Si2\n1.0\n5.253657 0.000000 0.000000\n0.000000 5.253657 0.000000\n-0.000000 0.000000 7.456152\nNa Sr Ca Si\n4 1 1 2\ndirect\n0.500000 0.000000 0.269264 Na\n0.000000 0.500000 0.730736 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.737978 Si\n0.000000 0.500000 0.262022 Si\n",
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{
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"structure_string": "Cu4 H6 Cl2 O6\n1.0\n5.766728 0.016922 0.000000\n-0.287365 5.679112 0.000000\n0.000000 0.000000 6.147312\nCu H Cl O\n4 6 2 6\ndirect\n0.995749 0.520617 0.750000 Cu\n0.500001 0.500000 0.000000 Cu\n0.500001 0.500000 0.500000 Cu\n0.004252 0.479383 0.250000 Cu\n0.799421 0.191628 0.534980 H\n0.200581 0.808371 0.465020 H\n0.799421 0.191628 0.965020 H\n0.452259 0.165003 0.750000 H\n0.200581 0.808371 0.034980 H\n0.547742 0.834997 0.250000 H\n0.279278 0.113569 0.250000 Cl\n0.720723 0.886430 0.750000 Cl\n0.189592 0.636152 0.005177 O\n0.810410 0.363848 0.505177 O\n0.611104 0.676277 0.250000 O\n0.388897 0.323722 0.750000 O\n0.189592 0.636152 0.494823 O\n0.810410 0.363848 0.994823 O\n",
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{
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"structure_string": "K2 Tl1 Sb1 Br6\n1.0\n7.173564 -0.000000 4.141659\n2.391188 6.763301 4.141659\n-0.000000 -0.000000 8.283318\nK Tl Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.761006 0.238993 0.238994 Br\n0.238993 0.238993 0.761007 Br\n0.238994 0.761006 0.761007 Br\n0.238994 0.761006 0.238994 Br\n0.761006 0.238993 0.761007 Br\n0.761006 0.761006 0.238994 Br\n",
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{
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"structure_string": "Li1 Sb1 Te3 O12\n1.0\n-5.061071 -0.000101 0.001370\n-0.000722 -5.322114 -0.032805\n0.016815 0.484063 7.334552\nLi Sb Te O\n1 1 3 12\ndirect\n0.497506 0.925399 0.787754 Li\n0.998785 0.005935 0.006455 Sb\n0.002550 0.003573 0.496817 Te\n0.498753 0.501435 0.002358 Te\n0.501291 0.497629 0.494146 Te\n0.676259 0.189869 0.927732 O\n0.321265 0.182005 0.426974 O\n0.815868 0.318950 0.570167 O\n0.180013 0.334686 0.066384 O\n0.368304 0.521684 0.744920 O\n0.801284 0.692328 0.924731 O\n0.858561 0.002089 0.256774 O\n0.186652 0.685679 0.425132 O\n0.683733 0.819443 0.566857 O\n0.334484 0.828503 0.051852 O\n0.644518 0.501830 0.249456 O\n0.135576 0.010513 0.744262 O\n",
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{
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"created_at": "2022-09-04T14:36:38.453664Z",
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"structure_string": "Rb2 Ca2 H12 N6\n1.0\n3.302325 5.890693 -1.182012\n-3.302325 5.890693 1.182012\n-0.087098 0.000000 6.616539\nRb Ca H N\n2 2 12 6\ndirect\n0.710905 0.710906 0.750000 Rb\n0.289094 0.289094 0.250000 Rb\n-0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.362724 0.652834 0.396257 H\n0.652834 0.362724 0.103743 H\n0.637276 0.347166 0.603743 H\n0.347166 0.637276 0.896257 H\n0.524833 0.206831 0.697161 H\n0.206831 0.524833 0.802839 H\n0.793168 0.475167 0.197161 H\n0.333061 0.098098 0.828247 H\n0.098098 0.333061 0.671753 H\n0.666938 0.901902 0.171753 H\n0.901902 0.666939 0.328247 H\n0.475166 0.793169 0.302839 H\n0.179351 0.672558 0.842697 N\n0.161027 0.161028 0.750000 N\n0.838972 0.838972 0.250000 N\n0.820648 0.327442 0.157303 N\n0.327442 0.820648 0.342697 N\n0.672558 0.179351 0.657303 N\n",
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{
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"structure_string": "Ti1 H10 C6 O4\n1.0\n4.665601 -0.087612 0.677548\n0.906799 5.904753 1.642370\n-0.017355 0.221823 6.956707\nTi H C O\n1 10 6 4\ndirect\n0.970675 0.801259 0.710788 Ti\n0.912458 0.773209 0.332306 H\n0.006848 0.502504 0.512411 H\n0.248536 0.941587 0.967600 H\n0.860568 0.991735 -0.003505 H\n0.283269 0.677295 0.379715 H\n0.799190 0.182347 0.239785 H\n0.644015 0.403970 0.344333 H\n0.179952 0.436787 0.182544 H\n0.325849 0.209994 0.083557 H\n0.061426 0.192216 0.808109 H\n0.055087 0.011400 0.886762 C\n0.059014 0.678806 0.447499 C\n0.465539 0.094344 0.475326 C\n0.495807 0.516541 0.937467 C\n0.590633 0.264805 0.292951 C\n0.385928 0.351623 0.127992 C\n0.747747 0.575697 0.922559 O\n0.633550 -0.004178 0.618974 O\n0.214023 0.050484 0.485672 O\n0.332949 0.591917 0.794475 O\n",
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"structure_string": "Rb2 Tb1 Cu1 Cl6\n1.0\n6.307670 -0.000000 3.641735\n2.102557 5.946928 3.641735\n-0.000000 -0.000000 7.283470\nTb Rb Cu Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Cu\n0.744784 0.255216 0.255215 Cl\n0.255216 0.255216 0.744783 Cl\n0.255217 0.744784 0.744783 Cl\n0.255217 0.744784 0.255215 Cl\n0.744784 0.255216 0.744783 Cl\n0.744784 0.744784 0.255215 Cl\n",
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