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"structure_string": "C2 S2 N6\n1.0\n5.407152 0.052340 1.704513\n0.808639 5.407389 1.042927\n0.692336 0.205407 6.634151\nC S N\n2 2 6\ndirect\n0.437738 0.285171 0.132755 C\n0.562263 0.714830 0.867245 C\n0.643198 0.348907 0.214761 S\n0.356803 0.651094 0.785238 S\n0.889964 0.208590 0.634584 N\n0.110037 0.791411 0.365415 N\n-0.045225 0.756127 0.318123 N\n0.045226 0.243873 0.681877 N\n0.294439 0.288445 0.038955 N\n0.705561 0.711556 -0.038955 N\n",
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{
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"structure_string": "Ca4 Sb2\n1.0\n4.559164 0.000000 -1.254265\n-0.345059 4.546088 -1.254265\n0.019739 0.021294 8.985002\nCa Sb\n4 2\ndirect\n0.669846 0.669846 0.339692 Ca\n0.994818 0.494818 0.989639 Ca\n0.319780 0.319780 0.639561 Ca\n0.494819 0.994818 0.989639 Ca\n0.858870 0.858871 0.717742 Sb\n0.130764 0.130763 0.261528 Sb\n",
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"structure_string": "Fe13 Ge3\n1.0\n5.712608 0.000155 -0.000007\n-0.000057 5.713287 -0.000051\n-0.000037 0.000121 5.712959\nFe Ge\n13 3\ndirect\n0.252811 0.252865 0.747200 Fe\n0.252855 0.252807 0.252792 Fe\n0.252781 0.747146 0.747177 Fe\n0.747165 0.747214 0.252846 Fe\n0.747144 0.252782 0.252818 Fe\n0.499981 -0.000001 0.500047 Fe\n0.500001 0.499995 0.500001 Fe\n0.747197 0.252832 0.747186 Fe\n0.252831 0.747193 0.252825 Fe\n-0.000001 0.499978 0.499951 Fe\n0.747213 0.747161 0.747153 Fe\n0.500013 0.500026 0.000003 Fe\n0.000013 -0.000007 -0.000002 Fe\n0.500002 0.999974 0.999943 Ge\n0.000011 0.000033 0.500003 Ge\n-0.000025 0.499999 0.000056 Ge\n",
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"structure_string": "Sr4 Fe1 Mo1 O8\n1.0\n6.972037 -0.102758 0.000000\n-4.816454 5.041987 0.000000\n-0.000000 -0.000000 5.379414\nSr Fe Mo O\n4 1 1 8\ndirect\n0.351085 0.648916 -0.000000 Sr\n0.854067 0.145933 0.500000 Sr\n0.145935 0.854067 0.500000 Sr\n0.648917 0.351084 -0.000000 Sr\n0.000000 0.000000 0.000000 Fe\n0.500001 0.500000 0.500000 Mo\n0.160921 0.839081 -0.000000 O\n0.659486 0.340514 0.500000 O\n0.340515 0.659486 0.500000 O\n0.839080 0.160920 -0.000000 O\n0.248354 0.248354 0.248606 O\n0.751647 0.751646 0.751393 O\n0.248354 0.248354 0.751393 O\n0.751647 0.751646 0.248606 O\n",
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"structure_string": "Fe6 O7 F5\n1.0\n4.536328 0.015350 0.042652\n0.125370 5.461563 0.052697\n0.127432 0.610956 7.532492\nFe O F\n6 7 5\ndirect\n0.516721 0.152379 0.334991 Fe\n0.458715 0.475820 0.986084 Fe\n0.524638 0.825285 0.662599 Fe\n0.994033 0.671945 0.319793 Fe\n0.964257 0.350539 0.677487 Fe\n0.019015 0.013228 0.021855 Fe\n0.207150 0.695098 0.104759 O\n0.304352 0.199748 0.117873 O\n0.305172 0.553787 0.758018 O\n0.791262 0.304032 0.904649 O\n0.783032 0.954012 0.239586 O\n0.799831 0.637047 0.545071 O\n0.691376 0.122798 0.559272 O\n0.212687 0.040523 0.766103 F\n0.715876 0.804157 0.905712 F\n0.711098 0.436461 0.236309 F\n0.285195 0.887364 0.429895 F\n0.215590 0.375781 0.429941 F\n",
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}