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{
"id": "mp-1204272",
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{
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"structure_string": "Mg4 Si16 Sn4 O40\n1.0\n7.642813 0.000000 0.000000\n0.000000 7.642813 0.000000\n0.000000 0.000000 15.050762\nMg Si Sn O\n4 16 4 40\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.137641 0.239286 0.648362 Si\n0.862359 0.760714 0.648362 Si\n0.239286 0.137641 0.851638 Si\n0.739286 0.362359 0.648362 Si\n0.260714 0.637641 0.648362 Si\n0.362359 0.739286 0.851638 Si\n0.637641 0.260714 0.851638 Si\n0.760714 0.862359 0.851638 Si\n0.362359 0.260714 0.351638 Si\n0.637641 0.739286 0.351638 Si\n0.260714 0.362359 0.148362 Si\n0.760714 0.137641 0.351638 Si\n0.239286 0.862359 0.351638 Si\n0.137641 0.760714 0.148362 Si\n0.862359 0.239286 0.148362 Si\n0.739286 0.637641 0.148362 Si\n0.500000 0.000000 0.597542 Sn\n0.000000 0.500000 0.902458 Sn\n0.000000 0.500000 0.402458 Sn\n0.500000 0.000000 0.097542 Sn\n0.200268 0.095300 0.576173 O\n0.799732 0.904700 0.576173 O\n0.095300 0.200268 0.923827 O\n0.595300 0.299732 0.576173 O\n0.404700 0.700268 0.576173 O\n0.299732 0.595300 0.923827 O\n0.700268 0.404700 0.923827 O\n0.904700 0.799732 0.923827 O\n0.299732 0.404700 0.423827 O\n0.700268 0.595300 0.423827 O\n0.404700 0.299732 0.076173 O\n0.904700 0.200268 0.423827 O\n0.095300 0.799732 0.423827 O\n0.200268 0.904700 0.076173 O\n0.799732 0.095300 0.076173 O\n0.266367 0.072138 0.366076 O\n0.595300 0.700268 0.076173 O\n0.766367 0.572138 0.633924 O\n0.427862 0.233633 0.866076 O\n0.927862 0.266367 0.633924 O\n0.072138 0.733633 0.633924 O\n0.266367 0.927862 0.866076 O\n0.733633 0.072138 0.866076 O\n0.572138 0.766367 0.866076 O\n0.676838 0.676838 0.250000 O\n0.823162 0.176838 0.250000 O\n0.176838 0.823162 0.250000 O\n0.323162 0.323162 0.250000 O\n0.823162 0.823162 0.750000 O\n0.676838 0.323162 0.750000 O\n0.323162 0.676838 0.750000 O\n0.176838 0.176838 0.750000 O\n0.927862 0.733633 0.133924 O\n0.766367 0.427862 0.133924 O\n0.233633 0.572138 0.133924 O\n0.427862 0.766367 0.366076 O\n0.572138 0.233633 0.366076 O\n0.072138 0.266367 0.133924 O\n0.733633 0.927862 0.366076 O\n0.233633 0.427862 0.633924 O\n",
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{
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{
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"structure_string": "Ca3 Cu2 Br2 O4\n1.0\n-1.939754 1.939754 11.959007\n1.939754 -1.939754 11.959007\n1.939754 1.939754 -11.959007\nCa Cu Br O\n3 2 2 4\ndirect\n0.867426 0.867426 0.000000 Ca\n0.132574 0.132574 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.565763 0.565763 0.000000 Cu\n0.434237 0.434237 0.000000 Cu\n0.692119 0.692119 0.000000 Br\n0.307881 0.307881 0.000000 Br\n0.567844 0.067844 0.500000 O\n0.432156 0.932156 0.500000 O\n0.067844 0.567844 0.500000 O\n0.932156 0.432156 0.500000 O\n",
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{
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