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{
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{
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{
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"structure_string": "K4 Sn2 Br12\n1.0\n7.680561 0.000000 0.000000\n0.000000 7.645546 0.000000\n0.000000 7.614726 10.888866\nK Sn Br\n4 2 12\ndirect\n0.537923 0.742523 0.250819 K\n0.962077 0.742523 0.750819 K\n0.037923 0.257477 0.249181 K\n0.462077 0.257477 0.749181 K\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.495946 0.188731 0.259194 Br\n0.780025 0.224654 0.476416 Br\n0.995946 0.811269 0.240806 Br\n0.719975 0.224654 0.976416 Br\n0.219975 0.775346 0.523584 Br\n0.504054 0.811269 0.740806 Br\n0.702892 0.693271 0.528283 Br\n0.797108 0.693271 0.028283 Br\n0.004054 0.188731 0.759194 Br\n0.297108 0.306729 0.471717 Br\n0.280025 0.775346 0.023584 Br\n0.202892 0.306729 0.971717 Br\n",
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{
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"structure_string": "Na1 Li1 Mg6 O7\n1.0\n8.653730 0.000000 0.000000\n0.000000 4.305873 0.000000\n0.000000 0.000000 4.305873\nNa Li Mg O\n1 1 6 7\ndirect\n0.001407 0.500000 0.500000 Na\n0.981993 -0.000000 -0.000000 Li\n0.522937 -0.000000 -0.000000 Mg\n0.496955 0.500000 0.500000 Mg\n0.235447 0.000000 0.500000 Mg\n0.777633 -0.000000 0.500000 Mg\n0.235447 0.500000 -0.000000 Mg\n0.777633 0.500000 -0.000000 Mg\n0.749842 -0.000000 -0.000000 O\n0.261721 0.500000 0.500000 O\n0.732531 0.500000 0.500000 O\n0.012912 0.000000 0.500000 O\n0.475314 0.000000 0.500000 O\n0.012912 0.500000 -0.000000 O\n0.475314 0.500000 -0.000000 O\n",
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"spacegroup": 99
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{
"id": "mp-1201618",
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"structure_string": "Na16 H8 S8 N8 O24\n1.0\n8.305993 0.000000 0.000000\n0.000000 17.031391 0.000000\n0.000000 0.000000 5.898139\nNa H S N O\n16 8 8 8 24\ndirect\n0.109216 0.830413 0.133264 Na\n0.390784 0.669587 0.133264 Na\n0.609216 0.169587 0.366736 Na\n0.890784 0.330413 0.366736 Na\n0.890784 0.169587 0.866736 Na\n0.609216 0.330413 0.866736 Na\n0.390784 0.830413 0.633264 Na\n0.109216 0.669587 0.633264 Na\n0.690715 0.971190 0.658838 Na\n0.809285 0.528810 0.658838 Na\n0.190715 0.028810 0.841162 Na\n0.309285 0.471190 0.841162 Na\n0.309285 0.028810 0.341162 Na\n0.190715 0.471190 0.341162 Na\n0.809285 0.971190 0.158838 Na\n0.690715 0.528810 0.158838 Na\n0.833353 0.829064 0.480546 H\n0.666647 0.670936 0.480546 H\n0.333353 0.170936 0.019454 H\n0.166647 0.329064 0.019454 H\n0.166647 0.170936 0.519454 H\n0.333353 0.329064 0.519454 H\n0.666647 0.829064 0.980546 H\n0.833353 0.670936 0.980546 H\n0.034860 0.882816 0.637521 S\n0.465140 0.617184 0.637521 S\n0.534860 0.117184 0.862479 S\n0.965140 0.382816 0.862479 S\n0.965140 0.117184 0.362479 S\n0.534860 0.382816 0.362479 S\n0.465140 0.882816 0.137521 S\n0.034860 0.617184 0.137521 S\n0.912945 0.872314 0.434134 N\n0.587055 0.627686 0.434134 N\n0.412945 0.127686 0.065866 N\n0.087055 0.372314 0.065866 N\n0.087055 0.127686 0.565866 N\n0.412945 0.372314 0.565866 N\n0.587055 0.872314 0.934134 N\n0.912945 0.627686 0.934134 N\n0.963804 0.927510 0.833870 O\n0.536196 0.572490 0.833870 O\n0.463804 0.072490 0.666130 O\n0.036196 0.427510 0.666130 O\n0.036196 0.072490 0.166130 O\n0.463804 0.427510 0.166130 O\n0.536196 0.927510 0.333870 O\n0.963804 0.572490 0.333870 O\n0.093974 0.805258 0.727605 O\n0.406026 0.694742 0.727605 O\n0.593974 0.194742 0.772395 O\n0.906026 0.305258 0.772395 O\n0.906026 0.194742 0.272395 O\n0.593974 0.305258 0.272395 O\n0.406026 0.805258 0.227605 O\n0.093974 0.694742 0.227605 O\n0.174742 0.927888 0.547440 O\n0.325258 0.572112 0.547440 O\n0.674742 0.072112 0.952560 O\n0.825258 0.427888 0.952560 O\n0.825258 0.072112 0.452560 O\n0.674742 0.427888 0.452560 O\n0.325258 0.927888 0.047440 O\n0.174742 0.572112 0.047440 O\n",
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{
"id": "mp-558238",
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"structure_string": "K8 Er16 F56\n1.0\n7.810372 0.000000 0.000000\n0.000000 11.865787 0.000000\n0.000000 0.000000 13.336578\nK Er F\n8 16 56\ndirect\n0.250000 0.915005 0.905115 K\n0.750000 0.434264 0.067730 K\n0.750000 0.584995 0.405115 K\n0.250000 0.415005 0.594885 K\n0.250000 0.565736 0.932270 K\n0.250000 0.065736 0.567730 K\n0.750000 0.934264 0.432270 K\n0.750000 0.084995 0.094885 K\n0.476413 0.743787 0.662581 Er\n0.250000 0.506723 0.241414 Er\n0.750000 0.493277 0.758586 Er\n0.976413 0.256213 0.337419 Er\n0.250000 0.209957 0.062937 Er\n0.750000 0.993277 0.741414 Er\n0.523587 0.256213 0.337419 Er\n0.523587 0.756213 0.162581 Er\n0.750000 0.290043 0.562937 Er\n0.750000 0.790043 0.937063 Er\n0.250000 0.709957 0.437063 Er\n0.476413 0.243787 0.837419 Er\n0.250000 0.006723 0.258586 Er\n0.023587 0.243787 0.837419 Er\n0.976413 0.756213 0.162581 Er\n0.023587 0.743787 0.662581 Er\n0.985326 0.218604 0.002331 F\n0.995701 0.925877 0.231827 F\n0.750000 0.866390 0.095271 F\n0.750000 0.192026 0.838851 F\n0.918982 0.330282 0.698671 F\n0.750000 0.242117 0.235282 F\n0.420650 0.587851 0.123184 F\n0.579350 0.412149 0.876816 F\n0.750000 0.742117 0.264718 F\n0.495701 0.574123 0.731827 F\n0.079350 0.087851 0.376816 F\n0.750000 0.973581 0.910840 F\n0.514674 0.218604 0.002331 F\n0.420650 0.087851 0.376816 F\n0.918982 0.830282 0.801329 F\n0.014674 0.281396 0.502331 F\n0.250000 0.026419 0.089160 F\n0.750000 0.123847 0.625435 F\n0.250000 0.807974 0.161149 F\n0.514674 0.718604 0.497669 F\n0.250000 0.336797 0.919981 F\n0.250000 0.633610 0.595271 F\n0.581018 0.830282 0.801329 F\n0.985326 0.718604 0.497669 F\n0.418982 0.669718 0.301329 F\n0.504299 0.925877 0.231827 F\n0.014674 0.781396 0.997669 F\n0.485326 0.281396 0.502331 F\n0.750000 0.663203 0.080019 F\n0.750000 0.366390 0.404729 F\n0.485326 0.781396 0.997669 F\n0.250000 0.526419 0.410840 F\n0.920650 0.912149 0.623184 F\n0.081018 0.669718 0.301329 F\n0.750000 0.163203 0.419981 F\n0.250000 0.836797 0.580019 F\n0.250000 0.757883 0.764718 F\n0.250000 0.307974 0.338851 F\n0.750000 0.692026 0.661149 F\n0.250000 0.133610 0.904729 F\n0.995701 0.425877 0.268173 F\n0.081018 0.169718 0.198671 F\n0.418982 0.169718 0.198671 F\n0.004299 0.574123 0.731827 F\n0.250000 0.876153 0.374565 F\n0.079350 0.587851 0.123184 F\n0.250000 0.376153 0.125435 F\n0.920650 0.412149 0.876816 F\n0.504299 0.425877 0.268173 F\n0.250000 0.257883 0.735282 F\n0.004299 0.074123 0.768173 F\n0.495701 0.074123 0.768173 F\n0.581018 0.330282 0.698671 F\n0.750000 0.623847 0.874565 F\n0.579350 0.912149 0.623184 F\n0.750000 0.473581 0.589160 F\n",
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{
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