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"structure_string": "Cu4 S2 O8\n1.0\n4.215285 -0.000000 1.433680\n2.107642 5.482424 0.716840\n-0.261601 0.000000 7.682853\nCu S O\n4 2 8\ndirect\n0.180163 0.250000 0.639675 Cu\n0.569838 0.250000 0.860324 Cu\n0.819838 0.749999 0.360325 Cu\n0.430163 0.749999 0.139675 Cu\n0.875001 0.250000 0.250000 S\n0.125000 0.749999 0.750000 S\n0.927503 0.405445 0.369484 O\n0.202432 0.094555 0.130516 O\n0.667053 0.405445 0.130515 O\n0.703014 0.094555 0.369484 O\n0.072498 0.594554 0.630515 O\n0.797569 0.905445 0.869484 O\n0.296987 0.905445 0.630515 O\n0.332948 0.594554 0.869484 O\n",
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{
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"updated_at": "2022-09-04T14:35:49.572586Z",
"structure_string": "K3 Na1 Se2 O8\n1.0\n5.861395 0.000000 -0.000000\n-2.930697 5.076116 -0.000000\n-0.000000 -0.000000 7.509885\nK Na Se O\n3 1 2 8\ndirect\n0.000000 0.000000 0.500000 K\n0.666666 0.333333 0.159473 K\n0.333333 0.666667 0.840527 K\n0.000000 0.000000 0.000000 Na\n0.666666 0.333333 0.719469 Se\n0.333333 0.666667 0.280530 Se\n0.358760 0.179380 0.801036 O\n0.820619 0.179380 0.801036 O\n0.820619 0.641241 0.801036 O\n0.179380 0.820621 0.198963 O\n0.641240 0.820621 0.198963 O\n0.179380 0.358760 0.198963 O\n0.333333 0.666667 0.500477 O\n0.666666 0.333333 0.499522 O\n",
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{
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"structure_string": "H5 C6 S2 N1\n1.0\n5.387431 -0.348907 0.652450\n1.770590 4.729816 2.465263\n0.086144 0.156284 6.014441\nH C S N\n5 6 2 1\ndirect\n0.142787 0.778258 0.146719 H\n0.887286 0.248527 0.800006 H\n0.230881 0.243075 0.449867 H\n0.392803 0.670450 0.360239 H\n0.550921 0.690211 0.977638 H\n0.897637 0.137310 0.690313 C\n0.082073 0.134853 0.500027 C\n0.062207 0.972400 0.392057 C\n0.739591 0.972489 0.728606 C\n0.390599 0.042624 0.023392 C\n0.244678 0.858977 0.232440 C\n0.808908 0.827336 0.521155 S\n0.342766 0.381927 0.928806 S\n0.559099 0.891855 0.916644 N\n",
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"structure_string": "Zn2 In4 S8\n1.0\n6.564241 0.000000 3.789866\n2.188080 6.188825 3.789866\n0.000000 0.000000 7.579732\nZn In S\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Zn\n0.875000 0.875001 0.875001 Zn\n0.500000 0.500000 0.000000 In\n0.500000 0.500000 0.500000 In\n-0.000000 0.500000 0.500000 In\n0.500000 -0.000000 0.500000 In\n0.745934 0.745935 0.745935 S\n0.254065 0.254066 0.737805 S\n0.254065 0.737806 0.254066 S\n0.737805 0.254066 0.254066 S\n0.745934 0.262195 0.745935 S\n0.262195 0.745935 0.745935 S\n0.254065 0.254066 0.254065 S\n0.745934 0.745935 0.262196 S\n",
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"structure_string": "Ba1 Mg1 Co4 O8\n1.0\n2.624671 -4.546063 0.000000\n2.624671 4.546063 0.000000\n0.000000 0.000000 7.191770\nBa Mg Co O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.744913 Co\n0.666667 0.333333 0.744913 Co\n0.333333 0.666667 0.255087 Co\n0.666667 0.333333 0.255087 Co\n0.318561 0.318561 0.677679 O\n0.681438 0.000000 0.677679 O\n0.000000 0.681438 0.677679 O\n0.681438 0.681438 0.322321 O\n0.000000 0.318561 0.322321 O\n0.318561 0.000000 0.322321 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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"structure_string": "Li2 Fe2 Si2 O8\n1.0\n2.755052 4.098498 -0.000000\n-2.755052 4.098498 -0.000000\n0.000000 -0.000000 6.150216\nLi Fe Si O\n2 2 2 8\ndirect\n0.169749 0.169749 0.250000 Li\n0.830252 0.830252 0.750001 Li\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.151950 0.151950 0.750001 Si\n0.848051 0.848051 0.250000 Si\n0.262367 0.786992 0.750001 O\n0.213008 0.737634 0.250000 O\n0.266033 0.266033 0.532748 O\n0.733967 0.733967 0.032748 O\n0.266033 0.266033 0.967253 O\n0.733967 0.733967 0.467252 O\n0.786992 0.262367 0.750001 O\n0.737634 0.213008 0.250000 O\n",
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