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{
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{
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{
"id": "mp-1179487",
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"structure_string": "Ta12 Hg2 Br32 O36\n1.0\n0.000000 10.683531 10.683531\n10.683531 0.000000 10.683531\n10.683531 10.683531 0.000000\nTa Hg Br O\n12 2 32 36\ndirect\n0.358686 0.641314 0.641314 Ta\n0.641314 0.358686 0.358686 Ta\n0.641314 0.641314 0.358686 Ta\n0.358686 0.358686 0.641314 Ta\n0.641314 0.358686 0.641314 Ta\n0.358686 0.641314 0.358686 Ta\n0.891314 0.608686 0.608686 Ta\n0.608686 0.891314 0.891314 Ta\n0.608686 0.608686 0.891314 Ta\n0.891314 0.891314 0.608686 Ta\n0.608686 0.891314 0.608686 Ta\n0.891314 0.608686 0.891314 Ta\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Hg\n0.260388 0.497592 0.744428 Br\n0.497592 0.260388 0.497592 Br\n0.744428 0.497592 0.260388 Br\n0.497592 0.744428 0.497592 Br\n0.497592 0.744428 0.260388 Br\n0.260388 0.497592 0.497592 Br\n0.497592 0.260388 0.744428 Br\n0.744428 0.497592 0.497592 Br\n0.744428 0.260388 0.497592 Br\n0.497592 0.497592 0.260388 Br\n0.260388 0.744428 0.497592 Br\n0.497592 0.497592 0.744428 Br\n0.989612 0.752408 0.505572 Br\n0.752408 0.989612 0.752408 Br\n0.505572 0.752408 0.989612 Br\n0.752408 0.505572 0.752408 Br\n0.752408 0.505572 0.989612 Br\n0.989612 0.752408 0.752408 Br\n0.752408 0.989612 0.505572 Br\n0.505572 0.752408 0.752408 Br\n0.505572 0.989612 0.752408 Br\n0.752408 0.752408 0.989612 Br\n0.989612 0.505572 0.752408 Br\n0.752408 0.752408 0.505572 Br\n0.033963 0.322012 0.322012 Br\n0.322012 0.033963 0.322012 Br\n0.322012 0.322012 0.033963 Br\n0.322012 0.322012 0.322012 Br\n0.216037 0.927988 0.927988 Br\n0.927988 0.216037 0.927988 Br\n0.927988 0.927988 0.216037 Br\n0.927988 0.927988 0.927988 Br\n0.278226 0.721774 0.721774 O\n0.721774 0.278226 0.278226 O\n0.721774 0.721774 0.278226 O\n0.278226 0.278226 0.721774 O\n0.721774 0.278226 0.721774 O\n0.278226 0.721774 0.278226 O\n0.971774 0.528226 0.528226 O\n0.528226 0.971774 0.971774 O\n0.528226 0.528226 0.971774 O\n0.971774 0.971774 0.528226 O\n0.528226 0.971774 0.528226 O\n0.971774 0.528226 0.971774 O\n0.600395 0.183663 0.183663 O\n0.183663 0.600395 0.032278 O\n0.183663 0.032278 0.600395 O\n0.032278 0.183663 0.183663 O\n0.183663 0.183663 0.600395 O\n0.600395 0.032278 0.183663 O\n0.032278 0.600395 0.183663 O\n0.183663 0.183663 0.032278 O\n0.183663 0.600395 0.183663 O\n0.032278 0.183663 0.600395 O\n0.600395 0.183663 0.032278 O\n0.183663 0.032278 0.183663 O\n0.649605 0.066337 0.066337 O\n0.066337 0.649605 0.217722 O\n0.066337 0.217722 0.649605 O\n0.217722 0.066337 0.066337 O\n0.066337 0.066337 0.649605 O\n0.649605 0.217722 0.066337 O\n0.217722 0.649605 0.066337 O\n0.066337 0.066337 0.217722 O\n0.066337 0.649605 0.066337 O\n0.217722 0.066337 0.649605 O\n0.649605 0.066337 0.217722 O\n0.066337 0.217722 0.066337 O\n",
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{
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"structure_string": "Pr2 Ni4 Bi4\n1.0\n4.651981 0.000000 0.000000\n0.000000 4.651981 0.000000\n0.000000 0.000000 10.349373\nPr Ni Bi\n2 4 4\ndirect\n0.000000 0.500000 0.230707 Pr\n0.500000 0.000000 0.769293 Pr\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.626065 Ni\n0.500000 0.000000 0.373935 Ni\n0.000000 0.000000 0.500000 Bi\n0.500000 0.500000 0.500000 Bi\n0.000000 0.500000 0.875028 Bi\n0.500000 0.000000 0.124972 Bi\n",
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{
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"structure_string": "Li88 Sn20\n1.0\n0.000000 9.862682 9.862682\n9.862682 0.000000 9.862682\n9.862682 9.862682 0.000000\nLi Sn\n88 20\ndirect\n0.075256 0.075256 0.075256 Li\n0.075256 0.075256 0.774232 Li\n0.075256 0.774232 0.075256 Li\n0.774232 0.075256 0.075256 Li\n0.831899 0.831899 0.831899 Li\n0.831899 0.831899 0.504302 Li\n0.831899 0.504302 0.831899 Li\n0.504302 0.831899 0.831899 Li\n0.417859 0.417859 0.417859 Li\n0.417859 0.417859 0.746422 Li\n0.417859 0.746422 0.417859 Li\n0.746422 0.417859 0.417859 Li\n0.323450 0.323450 0.323450 Li\n0.323450 0.323450 0.029651 Li\n0.323450 0.029651 0.323450 Li\n0.029651 0.323450 0.323450 Li\n0.831103 0.168897 0.168897 Li\n0.168897 0.831103 0.831103 Li\n0.168897 0.831103 0.168897 Li\n0.831103 0.168897 0.831103 Li\n0.168897 0.168897 0.831103 Li\n0.831103 0.831103 0.168897 Li\n0.000000 0.000000 0.000000 Li\n0.002680 0.002680 0.326160 Li\n0.002680 0.002680 0.668480 Li\n0.326160 0.668480 0.002680 Li\n0.326160 0.002680 0.002680 Li\n0.668480 0.326160 0.002680 Li\n0.668480 0.002680 0.002680 Li\n0.002680 0.326160 0.668480 Li\n0.002680 0.668480 0.326160 Li\n0.002680 0.326160 0.002680 Li\n0.668480 0.002680 0.326160 Li\n0.326160 0.002680 0.668480 Li\n0.002680 0.668480 0.002680 Li\n0.421645 0.078355 0.078355 Li\n0.078355 0.421645 0.421645 Li\n0.078355 0.421645 0.078355 Li\n0.421645 0.078355 0.421645 Li\n0.078355 0.078355 0.421645 Li\n0.421645 0.421645 0.078355 Li\n0.750000 0.750000 0.750000 Li\n0.757151 0.757151 0.422846 Li\n0.757151 0.757151 0.062852 Li\n0.422846 0.062852 0.757151 Li\n0.422846 0.757151 0.757151 Li\n0.062852 0.422846 0.757151 Li\n0.062852 0.757151 0.757151 Li\n0.757151 0.422846 0.062852 Li\n0.757151 0.062852 0.422846 Li\n0.757151 0.422846 0.757151 Li\n0.062852 0.757151 0.422846 Li\n0.422846 0.757151 0.062852 Li\n0.757151 0.062852 0.757151 Li\n0.672773 0.672773 0.672773 Li\n0.672773 0.672773 0.981680 Li\n0.672773 0.981680 0.672773 Li\n0.981680 0.672773 0.672773 Li\n0.255122 0.255122 0.918766 Li\n0.255122 0.255122 0.570990 Li\n0.918766 0.570990 0.255122 Li\n0.918766 0.255122 0.255122 Li\n0.570990 0.918766 0.255122 Li\n0.570990 0.255122 0.255122 Li\n0.255122 0.918766 0.570990 Li\n0.255122 0.570990 0.918766 Li\n0.255122 0.918766 0.255122 Li\n0.570990 0.255122 0.918766 Li\n0.918766 0.255122 0.570990 Li\n0.255122 0.570990 0.255122 Li\n0.504575 0.504575 0.812703 Li\n0.504575 0.504575 0.178147 Li\n0.812703 0.178147 0.504575 Li\n0.812703 0.504575 0.504575 Li\n0.178147 0.812703 0.504575 Li\n0.178147 0.504575 0.504575 Li\n0.504575 0.812703 0.178147 Li\n0.504575 0.178147 0.812703 Li\n0.504575 0.812703 0.504575 Li\n0.178147 0.504575 0.812703 Li\n0.812703 0.504575 0.178147 Li\n0.504575 0.178147 0.504575 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.576856 0.576856 0.576856 Li\n0.576856 0.576856 0.269431 Li\n0.576856 0.269431 0.576856 Li\n0.269431 0.576856 0.576856 Li\n0.161680 0.161680 0.161680 Sn\n0.161680 0.161680 0.514960 Sn\n0.161680 0.514960 0.161680 Sn\n0.514960 0.161680 0.161680 Sn\n0.925454 0.574546 0.574546 Sn\n0.574546 0.925454 0.925454 Sn\n0.574546 0.925454 0.574546 Sn\n0.925454 0.574546 0.925454 Sn\n0.574546 0.574546 0.925454 Sn\n0.925454 0.925454 0.574546 Sn\n0.676224 0.323776 0.323776 Sn\n0.323776 0.676224 0.676224 Sn\n0.323776 0.676224 0.323776 Sn\n0.676224 0.323776 0.676224 Sn\n0.323776 0.323776 0.676224 Sn\n0.676224 0.676224 0.323776 Sn\n0.916572 0.916572 0.916572 Sn\n0.916572 0.916572 0.250284 Sn\n0.916572 0.250284 0.916572 Sn\n0.250284 0.916572 0.916572 Sn\n",
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{
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"structure_string": "Sn2 H20 C6 Br6 N2\n1.0\n13.610430 0.000000 0.000000\n0.000000 6.860991 0.000000\n0.000000 0.707500 6.950624\nSn H C Br N\n2 20 6 6 2\ndirect\n0.992453 0.434393 0.534841 Sn\n0.492453 0.565607 0.465159 Sn\n0.833663 0.135650 0.854512 H\n0.333663 0.864350 0.145488 H\n0.861315 0.082491 0.186541 H\n0.361315 0.917509 0.813459 H\n0.781249 0.873021 0.200098 H\n0.281249 0.126979 0.799902 H\n0.894801 0.870048 0.069091 H\n0.394801 0.129952 0.930909 H\n0.725938 0.291954 0.049511 H\n0.225938 0.708046 0.950489 H\n0.664213 0.225485 0.837644 H\n0.164213 0.774515 0.162356 H\n0.645723 0.083442 0.066381 H\n0.145723 0.916558 0.933619 H\n0.214287 0.043135 0.316742 H\n0.714287 0.956865 0.683258 H\n0.322505 0.179410 0.238604 H\n0.822505 0.820590 0.761396 H\n0.208763 0.219001 0.108753 H\n0.708763 0.780999 0.891247 H\n0.833896 0.961571 0.110768 C\n0.333896 0.038429 0.889232 C\n0.698017 0.170475 0.974845 C\n0.198017 0.829525 0.025155 C\n0.254910 0.111263 0.192258 C\n0.754910 0.888737 0.807742 C\n0.796186 0.439226 0.489164 Br\n0.296186 0.560774 0.510836 Br\n0.006136 0.040465 0.560630 Br\n0.506136 0.959535 0.439370 Br\n0.983959 0.435712 0.920978 Br\n0.483959 0.564288 0.079022 Br\n0.783257 0.044987 0.931485 N\n0.283257 0.955013 0.068515 N\n",
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{
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{
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