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{
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{
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{
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"structure_string": "Cu6 Se6 O18\n1.0\n4.813137 0.000000 0.000000\n-0.040235 8.926117 0.000000\n-0.222687 -4.286405 9.840368\nCu Se O\n6 6 18\ndirect\n0.468836 0.992021 0.743465 Cu\n0.030654 0.646070 0.665016 Cu\n0.000000 0.000000 0.000000 Cu\n0.531164 0.007979 0.256535 Cu\n0.000000 0.000000 0.500000 Cu\n0.969346 0.353930 0.334984 Cu\n0.578243 0.696820 0.878783 Se\n0.547762 0.726532 0.478795 Se\n0.421757 0.303180 0.121217 Se\n0.982185 0.246026 0.829313 Se\n0.452238 0.273468 0.521205 Se\n0.017815 0.753974 0.170687 Se\n0.123179 0.074442 0.853104 O\n0.700559 0.923303 0.578310 O\n0.723133 0.557180 0.732226 O\n0.367303 0.788088 0.170096 O\n0.937521 0.803737 0.339040 O\n0.310454 0.776820 0.617043 O\n0.632697 0.211912 0.829904 O\n0.227697 0.691446 0.838859 O\n0.299441 0.076697 0.421690 O\n0.690939 0.883970 0.875607 O\n0.791777 0.600706 0.500291 O\n0.208223 0.399294 0.499709 O\n0.772303 0.308554 0.161141 O\n0.309061 0.116030 0.124393 O\n0.689546 0.223180 0.382957 O\n0.876821 0.925558 0.146896 O\n0.276867 0.442820 0.267774 O\n0.062479 0.196263 0.660960 O\n",
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{
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"structure_string": "Ba8 Ca4 I24\n1.0\n18.332623 0.000000 0.000000\n0.000000 9.968814 0.000000\n0.000000 5.847039 9.405267\nBa Ca I\n8 4 24\ndirect\n0.422492 0.219254 0.048584 Ba\n0.922492 0.780746 0.451416 Ba\n0.243651 0.743387 0.506726 Ba\n0.743651 0.256613 0.993274 Ba\n0.256349 0.743387 0.006726 Ba\n0.756349 0.256613 0.493274 Ba\n0.077508 0.219254 0.548584 Ba\n0.577508 0.780746 0.951416 Ba\n0.588778 0.677269 0.522783 Ca\n0.088778 0.322731 0.977217 Ca\n0.911222 0.677269 0.022783 Ca\n0.411222 0.322731 0.477217 Ca\n0.418283 0.591059 0.547663 I\n0.074691 0.541894 0.627771 I\n0.575581 0.936387 0.185872 I\n0.758034 0.544964 0.605961 I\n0.258034 0.455036 0.894039 I\n0.897615 0.933514 0.095461 I\n0.574691 0.458106 0.872229 I\n0.278620 0.962225 0.154634 I\n0.778620 0.037775 0.345366 I\n0.081717 0.591059 0.047663 I\n0.397615 0.066486 0.404539 I\n0.924419 0.936387 0.685872 I\n0.075581 0.063613 0.314128 I\n0.602385 0.933514 0.595461 I\n0.918283 0.408941 0.952337 I\n0.221380 0.962225 0.654634 I\n0.721380 0.037775 0.845366 I\n0.425309 0.541894 0.127771 I\n0.102385 0.066486 0.904539 I\n0.741966 0.544964 0.105961 I\n0.241966 0.455036 0.394039 I\n0.424419 0.063613 0.814128 I\n0.925309 0.458106 0.372229 I\n0.581717 0.408941 0.452337 I\n",
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{
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"structure_string": "Gd8 Si8 O28\n1.0\n6.748541 0.000000 0.000000\n0.000000 6.622969 0.000000\n0.000000 3.966385 12.094894\nGd Si O\n8 8 28\ndirect\n0.829919 0.157557 0.151316 Gd\n0.329919 0.842443 0.348684 Gd\n0.170081 0.842443 0.848684 Gd\n0.670081 0.157557 0.651316 Gd\n0.611151 0.472057 0.862940 Gd\n0.111151 0.527943 0.637060 Gd\n0.388849 0.527943 0.137060 Gd\n0.888849 0.472057 0.362940 Gd\n0.918309 0.711497 0.111401 Si\n0.418309 0.288503 0.388599 Si\n0.081691 0.288503 0.888599 Si\n0.581691 0.711497 0.611401 Si\n0.671342 0.896533 0.914533 Si\n0.171342 0.103467 0.585467 Si\n0.328658 0.103467 0.085467 Si\n0.828658 0.896533 0.414533 Si\n0.105029 0.663629 0.042648 O\n0.605029 0.336371 0.457352 O\n0.894971 0.336371 0.957352 O\n0.394971 0.663629 0.542648 O\n0.830700 0.783365 0.854025 O\n0.330700 0.216635 0.645975 O\n0.169300 0.216635 0.145975 O\n0.669300 0.783365 0.354025 O\n0.594878 0.128209 0.838669 O\n0.094878 0.871791 0.661331 O\n0.405122 0.871791 0.161331 O\n0.905122 0.128209 0.338669 O\n0.981311 0.801449 0.212385 O\n0.481311 0.198551 0.287615 O\n0.018689 0.198551 0.787615 O\n0.518689 0.801449 0.712385 O\n0.722245 0.907597 0.531504 O\n0.222245 0.092403 0.968496 O\n0.277755 0.092403 0.468496 O\n0.777755 0.907597 0.031504 O\n0.015096 0.724790 0.450293 O\n0.515096 0.275210 0.049707 O\n0.984904 0.275210 0.549707 O\n0.484904 0.724790 0.950293 O\n0.723658 0.502140 0.668233 O\n0.223658 0.497860 0.831767 O\n0.276342 0.497860 0.331767 O\n0.776342 0.502140 0.168233 O\n",
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{
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{
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