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"structure_string": "K2 Tb1 Au1 Cl6\n1.0\n6.509987 0.000000 3.758543\n2.169995 6.137675 3.758543\n-0.000000 -0.000000 7.517086\nTb K Au Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Au\n0.753381 0.246619 0.246619 Cl\n0.246620 0.246619 0.753381 Cl\n0.246620 0.753380 0.753381 Cl\n0.246620 0.753380 0.246619 Cl\n0.753381 0.246619 0.753381 Cl\n0.753382 0.753380 0.246618 Cl\n",
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{
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{
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{
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"structure_string": "Rb2 Ta1 Hg1 F6\n1.0\n5.956313 -0.000000 3.438879\n1.985438 5.615666 3.438879\n-0.000000 -0.000000 6.877758\nRb Ta Hg F\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Hg\n0.794979 0.205021 0.205021 F\n0.205020 0.205021 0.794980 F\n0.205020 0.794980 0.794980 F\n0.205020 0.794980 0.205020 F\n0.794979 0.205021 0.794980 F\n0.794979 0.794980 0.205021 F\n",
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"structure_string": "Ba2 Sr1 Ir1 O6\n1.0\n5.298951 0.018398 3.030235\n1.766472 4.995878 3.030235\n0.025923 0.018398 6.104141\nBa Sr Ir O\n2 1 1 6\ndirect\n0.249985 0.249986 0.249985 Ba\n0.750013 0.750016 0.750013 Ba\n0.000000 0.000000 0.000000 Sr\n0.499999 0.500001 0.499999 Ir\n0.274636 0.274637 0.725383 O\n0.274636 0.725383 0.274636 O\n0.725382 0.274637 0.274636 O\n0.274616 0.725364 0.725363 O\n0.725363 0.274618 0.725363 O\n0.725363 0.725364 0.274616 O\n",
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{
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"structure_string": "Na2 Li1 Bi1 Cl6\n1.0\n6.320812 -0.000000 3.649322\n2.106937 5.959319 3.649322\n-0.000000 -0.000000 7.298645\nNa Li Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Bi\n0.740012 0.259988 0.259987 Cl\n0.259988 0.259988 0.740012 Cl\n0.259988 0.740013 0.740011 Cl\n0.259988 0.740013 0.259987 Cl\n0.740012 0.259988 0.740012 Cl\n0.740012 0.740013 0.259987 Cl\n",
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{
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"structure_string": "Na8 Si16 Cu12 O48\n1.0\n7.601954 -0.000000 0.000000\n0.000000 10.284774 0.000000\n0.000000 0.000000 13.679632\nNa Si Cu O\n8 16 12 48\ndirect\n0.039923 0.750000 0.166470 Na\n0.185315 0.750000 0.486969 Na\n0.460077 0.250000 0.666470 Na\n0.814684 0.250000 0.513030 Na\n0.314684 0.250000 0.986969 Na\n0.539923 0.750000 0.333530 Na\n0.960076 0.250000 0.833530 Na\n0.685315 0.750000 0.013030 Na\n0.678923 0.035160 0.876919 Si\n0.321077 0.535160 0.123081 Si\n0.778486 0.470533 0.662350 Si\n0.221514 0.970532 0.337650 Si\n0.278486 0.029467 0.837650 Si\n0.778486 0.029467 0.662350 Si\n0.821076 0.535160 0.376919 Si\n0.721513 0.970532 0.162350 Si\n0.721513 0.529467 0.162350 Si\n0.178923 0.035160 0.623081 Si\n0.678923 0.464839 0.876919 Si\n0.178923 0.464839 0.623081 Si\n0.321077 0.964839 0.123081 Si\n0.221514 0.529467 0.337650 Si\n0.821076 0.964839 0.376919 Si\n0.278486 0.470533 0.837650 Si\n0.264121 0.250000 0.218708 Cu\n0.251388 0.750000 0.939035 Cu\n0.248612 0.250000 0.439035 Cu\n0.000000 0.500000 0.000000 Cu\n0.751388 0.750000 0.560965 Cu\n0.748611 0.250000 0.060965 Cu\n0.735878 0.750000 0.781292 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.764121 0.250000 0.281292 Cu\n0.000000 0.000000 0.000000 Cu\n0.235878 0.750000 0.718708 Cu\n0.371684 0.594973 0.405083 O\n0.371684 0.905027 0.405083 O\n0.761232 0.405423 0.773027 O\n0.206872 0.619697 0.619172 O\n0.261233 0.094577 0.726973 O\n0.970105 0.081071 0.618486 O\n0.284032 0.109388 0.533702 O\n0.268145 0.871257 0.828411 O\n0.784031 0.390611 0.966298 O\n0.261233 0.405423 0.726973 O\n0.793127 0.119697 0.380828 O\n0.128316 0.094973 0.905083 O\n0.293128 0.119697 0.119172 O\n0.784031 0.109388 0.966298 O\n0.628316 0.405027 0.594916 O\n0.029894 0.918928 0.381514 O\n0.284032 0.390611 0.533702 O\n0.470106 0.418928 0.881514 O\n0.715968 0.890611 0.466298 O\n0.731855 0.371257 0.171589 O\n0.715968 0.609388 0.466298 O\n0.768145 0.871257 0.671589 O\n0.029894 0.581071 0.381514 O\n0.238767 0.594577 0.226973 O\n0.761232 0.094577 0.773027 O\n0.793127 0.380303 0.380828 O\n0.970105 0.418928 0.618486 O\n0.731855 0.128743 0.171589 O\n0.738767 0.905422 0.273027 O\n0.231855 0.371257 0.328411 O\n0.529894 0.918928 0.118486 O\n0.706872 0.880302 0.880828 O\n0.215968 0.609388 0.033702 O\n0.706872 0.619697 0.880828 O\n0.871683 0.905027 0.094916 O\n0.238767 0.905422 0.226973 O\n0.529894 0.581071 0.118486 O\n0.738767 0.594577 0.273027 O\n0.268145 0.628743 0.828411 O\n0.470106 0.081071 0.881514 O\n0.871683 0.594973 0.094916 O\n0.628316 0.094973 0.594916 O\n0.293128 0.380303 0.119172 O\n0.768145 0.628743 0.671589 O\n0.128316 0.405027 0.905083 O\n0.231855 0.128743 0.328411 O\n0.215968 0.890611 0.033702 O\n0.206872 0.880302 0.619172 O\n",
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