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"structure_string": "Ba4 S4 O16\n1.0\n5.480957 0.000000 0.000000\n0.000000 7.192027 0.000000\n0.000000 0.000000 8.927816\nBa S O\n4 4 16\ndirect\n0.250000 0.842010 0.684338 Ba\n0.750000 0.157990 0.315662 Ba\n0.750000 0.342010 0.815662 Ba\n0.250000 0.657990 0.184338 Ba\n0.250000 0.309894 0.563244 S\n0.750000 0.690106 0.436756 S\n0.750000 0.809894 0.936756 S\n0.250000 0.190106 0.063244 S\n0.750000 0.949472 0.814295 O\n0.250000 0.050528 0.185706 O\n0.250000 0.104229 0.913657 O\n0.750000 0.895771 0.086343 O\n0.750000 0.604229 0.586344 O\n0.250000 0.395771 0.413657 O\n0.029530 0.311221 0.079984 O\n0.970470 0.688779 0.920017 O\n0.970470 0.811221 0.420017 O\n0.470470 0.188779 0.579984 O\n0.750000 0.550528 0.314295 O\n0.470470 0.311221 0.079984 O\n0.029530 0.188779 0.579984 O\n0.529531 0.811221 0.420017 O\n0.529531 0.688779 0.920017 O\n0.250000 0.449472 0.685706 O\n",
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{
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"structure_string": "K4 Au4 Br16\n1.0\n0.000000 9.008381 0.088585\n6.634141 0.000000 0.000000\n0.000000 -1.778078 -12.749240\nK Au Br\n4 4 16\ndirect\n0.203796 0.557674 0.181318 K\n0.203796 0.942325 0.681318 K\n0.796204 0.442325 0.818683 K\n0.796204 0.057675 0.318683 K\n0.500000 0.500000 0.500000 Au\n0.500000 0.000000 0.000000 Au\n-0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.493954 0.340413 0.325796 Br\n0.506045 0.840413 0.174205 Br\n0.096561 0.442578 0.688232 Br\n0.903439 0.942578 0.811768 Br\n0.903439 0.557422 0.311768 Br\n0.096561 0.057422 0.188232 Br\n0.856869 0.798190 0.544656 Br\n0.333767 0.726417 0.921344 Br\n0.143130 0.201810 0.455344 Br\n0.856870 0.701810 0.044656 Br\n0.493954 0.159587 0.825796 Br\n0.333767 0.773582 0.421344 Br\n0.666232 0.273582 0.078657 Br\n0.666232 0.226417 0.578657 Br\n0.143130 0.298190 0.955344 Br\n0.506045 0.659587 0.674205 Br\n",
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