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{
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{
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"structure_string": "Rb2 Na1 Sc1 Cl6\n1.0\n6.318418 -0.000000 3.647940\n2.106139 5.957061 3.647940\n-0.000000 -0.000000 7.295880\nRb Na Sc Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.759623 0.240377 0.240377 Cl\n0.240377 0.240377 0.759623 Cl\n0.240377 0.759623 0.759623 Cl\n0.240377 0.759623 0.240377 Cl\n0.759623 0.240377 0.759623 Cl\n0.759623 0.759623 0.240377 Cl\n",
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{
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"structure_string": "Mg2 Ga2 Mo2 S8\n1.0\n6.396804 0.000128 3.668107\n2.010174 5.938516 3.906019\n0.017665 0.303875 7.380215\nMg Ga Mo S\n2 2 2 8\ndirect\n0.861795 0.888204 0.888185 Mg\n0.109670 0.140287 0.140294 Mg\n0.504052 0.486924 0.486924 Ga\n0.022137 0.486917 0.486917 Ga\n0.497546 0.551992 -0.047083 Mo\n0.497548 -0.047087 0.551998 Mo\n0.780852 0.729821 0.729841 S\n0.273916 0.222548 0.729648 S\n0.273883 0.729651 0.222571 S\n0.707834 0.261726 0.261742 S\n0.721310 0.298212 0.759198 S\n0.259483 0.729861 0.729829 S\n0.268680 0.261733 0.261722 S\n0.721291 0.759219 0.298213 S\n",
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"structure_string": "Sr2 Cu4 B4 O12\n1.0\n-4.551054 4.551054 3.314955\n4.551054 -4.551054 3.314955\n4.551054 4.551054 -3.314955\nSr Cu B O\n2 4 4 12\ndirect\n0.749999 0.749999 0.000000 Sr\n0.250000 0.250000 0.000000 Sr\n0.614050 0.885948 0.500000 Cu\n0.385949 0.114051 0.500000 Cu\n0.885948 0.385949 0.271897 Cu\n0.114051 0.614050 0.728102 Cu\n0.703973 0.203973 0.907946 B\n0.203973 0.296026 0.500000 B\n0.296026 0.796026 0.092053 B\n0.796026 0.703973 0.500000 B\n0.598030 0.098031 0.696061 O\n0.401969 0.901968 0.303938 O\n0.901968 0.598030 0.500000 O\n0.672006 0.353214 0.025221 O\n0.327993 0.646785 0.974779 O\n0.353214 0.327993 0.681207 O\n0.646785 0.672006 0.318792 O\n0.827992 0.853214 0.681207 O\n0.172007 0.146785 0.318792 O\n0.146785 0.827992 0.974779 O\n0.853214 0.172007 0.025221 O\n0.098031 0.401969 0.500000 O\n",
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"structure_string": "H14 C14 N2 O2\n1.0\n3.921177 0.026368 0.076878\n0.240886 6.463906 1.314956\n-0.319079 0.114829 10.855893\nH C N O\n14 14 2 2\ndirect\n0.370907 0.070612 0.218730 H\n0.119505 0.809544 0.837670 H\n0.619514 0.309540 0.337668 H\n0.785376 0.113403 0.061961 H\n0.019082 0.356432 0.183075 H\n0.519070 0.856437 0.683076 H\n0.616135 0.029269 0.870911 H\n0.285368 0.613405 0.561962 H\n0.396103 0.829249 0.038339 H\n0.896099 0.329250 0.538338 H\n0.395246 0.242643 0.768769 H\n0.895251 0.742637 0.268771 H\n0.870894 0.570619 0.718731 H\n0.116146 0.529264 0.370912 H\n0.585116 0.098069 0.519340 C\n0.043399 0.657409 0.887752 C\n0.543404 0.157406 0.387752 C\n0.902315 0.522617 0.820912 C\n0.402322 0.022613 0.320912 C\n0.085118 0.598069 0.019341 C\n0.804715 0.325690 0.881903 C\n0.647101 0.182852 0.809017 C\n0.984959 0.403240 0.081397 C\n0.484952 0.903242 0.581397 C\n0.851316 0.268247 0.012421 C\n0.351312 0.768248 0.512421 C\n0.147107 0.682848 0.309018 C\n0.304718 0.825688 0.381904 C\n0.711080 0.241525 0.586132 N\n0.211084 0.741524 0.086133 N\n0.860281 0.145384 0.706078 O\n0.360287 0.645381 0.206079 O\n",
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"structure_string": "Sr2 Cu4 B4 O12\n1.0\n-4.549020 4.549020 3.318106\n4.549020 -4.549020 3.318106\n4.549020 4.549020 -3.318106\nSr Cu B O\n2 4 4 12\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.852584 0.852584 0.228176 Cu\n0.624407 0.624407 0.771824 Cu\n0.147417 0.375593 0.000000 Cu\n0.375593 0.147417 0.000000 Cu\n0.950028 0.542074 0.000000 B\n0.457927 0.457927 0.407954 B\n0.542074 0.950028 0.000000 B\n0.049973 0.049973 0.592046 B\n0.830833 0.634476 0.000000 O\n0.634476 0.830833 0.000000 O\n0.169168 0.169168 0.803643 O\n0.923976 0.398867 0.818738 O\n0.580129 0.105239 0.181262 O\n0.601134 0.419872 0.525110 O\n0.894762 0.076024 0.474890 O\n0.076024 0.894762 0.474890 O\n0.419872 0.601134 0.525110 O\n0.398867 0.923976 0.818738 O\n0.105239 0.580129 0.181262 O\n0.365525 0.365525 0.196357 O\n",
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{
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"structure_string": "Sr2 Cu4 B4 O12\n1.0\n-4.549308 4.549308 3.318005\n4.549308 -4.549308 3.318005\n4.549308 4.549308 -3.318005\nSr Cu B O\n2 4 4 12\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.853236 0.853236 0.228162 Cu\n0.625074 0.625074 0.771839 Cu\n0.146765 0.374927 0.000000 Cu\n0.374927 0.146765 0.000000 Cu\n0.950209 0.542248 0.000000 B\n0.457753 0.457753 0.407961 B\n0.542248 0.950209 0.000000 B\n0.049792 0.049792 0.592040 B\n0.831785 0.635456 0.000000 O\n0.635456 0.831785 0.000000 O\n0.168216 0.168216 0.803671 O\n0.923820 0.398687 0.818742 O\n0.579945 0.105078 0.181258 O\n0.601314 0.420056 0.525133 O\n0.894923 0.076181 0.474868 O\n0.076181 0.894923 0.474868 O\n0.420056 0.601314 0.525133 O\n0.398687 0.923820 0.818742 O\n0.105078 0.579945 0.181258 O\n0.364545 0.364545 0.196329 O\n",
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