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{
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{
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{
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{
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{
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"structure_string": "Ba8 Ca8 Tl7 Cu12 O39\n1.0\n3.886759 -0.000000 0.000000\n-0.000000 3.886759 0.000000\n-1.943379 -1.943379 71.322316\nBa Ca Tl Cu O\n8 8 7 12 39\ndirect\n0.480907 0.480907 0.961813 Ba\n0.519093 0.519093 0.038187 Ba\n0.406682 0.406682 0.813363 Ba\n0.593318 0.593318 0.186637 Ba\n0.851397 0.851397 0.702795 Ba\n0.148603 0.148603 0.297205 Ba\n0.778697 0.778697 0.557394 Ba\n0.221303 0.221303 0.442606 Ba\n0.454968 0.454968 0.909936 Ca\n0.545032 0.545032 0.090064 Ca\n0.431705 0.431705 0.863410 Ca\n0.568295 0.568295 0.136590 Ca\n0.826599 0.826599 0.653198 Ca\n0.173401 0.173401 0.346802 Ca\n0.803784 0.803784 0.607567 Ca\n0.196216 0.196216 0.392433 Ca\n0.000000 0.000000 0.000000 Tl\n0.886971 0.886971 0.773941 Tl\n0.113029 0.113029 0.226059 Tl\n0.371036 0.371036 0.742073 Tl\n0.628964 0.628964 0.257927 Tl\n0.258243 0.258243 0.516485 Tl\n0.741757 0.741757 0.483515 Tl\n0.965989 0.965989 0.931978 Cu\n0.034011 0.034011 0.068022 Cu\n0.943065 0.943065 0.886131 Cu\n0.056935 0.056935 0.113869 Cu\n0.920509 0.920509 0.841019 Cu\n0.079491 0.079491 0.158981 Cu\n0.337588 0.337588 0.675176 Cu\n0.662412 0.662412 0.324824 Cu\n0.315174 0.315174 0.630349 Cu\n0.684826 0.684826 0.369651 Cu\n0.293019 0.293019 0.586038 Cu\n0.706981 0.706981 0.413962 Cu\n0.500000 0.500000 0.000000 O\n0.985313 0.985313 0.970625 O\n0.014687 0.014687 0.029375 O\n0.465310 0.965310 0.930620 O\n0.965310 0.465310 0.930620 O\n0.534690 0.034690 0.069380 O\n0.034690 0.534690 0.069380 O\n0.442872 0.942872 0.885744 O\n0.942872 0.442872 0.885744 O\n0.557128 0.057128 0.114256 O\n0.057128 0.557128 0.114256 O\n0.420481 0.920481 0.840963 O\n0.920481 0.420481 0.840963 O\n0.579519 0.079519 0.159037 O\n0.079519 0.579519 0.159037 O\n0.901235 0.901235 0.802470 O\n0.098765 0.098765 0.197530 O\n0.385674 0.385674 0.771348 O\n0.614326 0.614326 0.228652 O\n0.872324 0.872324 0.744649 O\n0.127676 0.127676 0.255351 O\n0.356762 0.356762 0.713523 O\n0.643238 0.643238 0.286477 O\n0.337605 0.837605 0.675210 O\n0.837605 0.337605 0.675210 O\n0.662395 0.162395 0.324790 O\n0.162395 0.662395 0.324790 O\n0.315292 0.815292 0.630584 O\n0.815292 0.315292 0.630584 O\n0.684708 0.184708 0.369416 O\n0.184708 0.684708 0.369416 O\n0.292849 0.792849 0.585698 O\n0.792849 0.292849 0.585698 O\n0.707151 0.207151 0.414302 O\n0.207151 0.707151 0.414302 O\n0.272655 0.272655 0.545310 O\n0.727345 0.727345 0.454690 O\n0.756486 0.756486 0.512972 O\n0.243514 0.243514 0.487028 O\n",
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{
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"structure_string": "Li10 Fe21 O32\n1.0\n5.115217 -0.090198 2.985113\n1.622636 4.851157 2.980442\n-0.037886 -0.049155 23.949367\nLi Fe O\n10 21 32\ndirect\n0.998202 0.420046 0.004124 Li\n0.997228 0.499072 0.251083 Li\n0.499595 0.497409 0.500371 Li\n0.995904 0.990625 0.129041 Li\n0.995367 0.996864 0.252163 Li\n0.995460 0.004217 0.374146 Li\n0.001960 0.001606 0.624983 Li\n0.997310 0.999205 0.501124 Li\n0.497281 0.504422 0.874781 Li\n0.011543 0.015158 0.848639 Li\n0.431589 0.013796 0.997525 Fe\n0.500923 0.510075 0.999173 Fe\n0.495105 0.494488 0.127868 Fe\n0.499075 0.495068 0.252358 Fe\n0.495333 0.998412 0.126611 Fe\n0.500505 0.492526 0.377726 Fe\n0.010111 0.484156 0.127724 Fe\n0.495452 0.998028 0.250571 Fe\n0.494901 0.985055 0.378567 Fe\n0.487022 0.013234 0.625371 Fe\n0.987586 0.498962 0.375513 Fe\n0.501478 0.998560 0.499339 Fe\n0.504586 0.505284 0.620189 Fe\n0.520006 0.013788 0.868609 Fe\n0.996178 0.501702 0.500399 Fe\n0.500544 0.499531 0.750970 Fe\n0.515697 0.988930 0.749949 Fe\n0.013104 0.487182 0.625668 Fe\n0.990877 0.514694 0.749357 Fe\n0.012985 0.515762 0.868723 Fe\n0.928270 0.924481 0.975499 Fe\n0.252064 0.238351 0.060222 O\n0.241575 0.733539 0.067545 O\n0.244598 0.242230 0.190367 O\n0.708612 0.267974 0.066382 O\n0.249339 0.242121 0.314930 O\n0.272602 0.734314 0.187070 O\n0.761420 0.733885 0.067853 O\n0.247726 0.741741 0.314334 O\n0.749934 0.245997 0.188671 O\n0.238227 0.246683 0.439159 O\n0.720789 0.251431 0.316430 O\n0.747579 0.748060 0.188584 O\n0.248505 0.248422 0.562387 O\n0.252398 0.739840 0.437524 O\n0.745313 0.752092 0.312955 O\n0.258262 0.743204 0.563265 O\n0.742954 0.251389 0.437078 O\n0.251191 0.251380 0.688761 O\n0.744218 0.257413 0.563163 O\n0.750862 0.746879 0.438304 O\n0.245019 0.244839 0.811112 O\n0.268216 0.735575 0.684475 O\n0.756749 0.757336 0.561783 O\n0.736000 0.268007 0.684159 O\n0.244249 0.256311 0.931682 O\n0.272457 0.738048 0.811186 O\n0.738578 0.273692 0.810581 O\n0.756621 0.756855 0.683746 O\n0.288045 0.747900 0.936628 O\n0.754761 0.748904 0.813440 O\n0.745430 0.286670 0.935932 O\n0.769527 0.781578 0.940877 O\n",
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{
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"structure_string": "Be2 Cr1 Ir1\n1.0\n-4.524513 4.632696 6.548715\n4.524513 -4.632696 6.548715\n4.524513 4.632696 -6.548715\nBe Cr Ir\n2 1 1\ndirect\n0.000000 0.268664 0.268664 Be\n0.000000 0.731336 0.731336 Be\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Ir\n",
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{
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