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{
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{
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"structure_string": "Ba5 In4 Te4 S7\n1.0\n-2.223157 3.734840 19.928562\n2.223157 -3.734840 19.928562\n2.223157 3.734840 -19.928562\nBa In Te S\n5 4 4 7\ndirect\n0.343577 0.500000 0.843577 Ba\n0.179439 0.684768 0.494671 Ba\n0.809903 0.315232 0.494671 Ba\n0.608494 0.613794 0.994701 Ba\n0.380907 0.386206 0.994701 Ba\n0.906422 0.054015 0.852407 In\n0.798391 0.945985 0.852407 In\n0.673242 0.198237 0.475005 In\n0.276768 0.801763 0.475005 In\n0.084792 0.589186 0.495606 Te\n0.906420 0.410814 0.495606 Te\n0.654242 0.740647 0.913595 Te\n0.172949 0.259353 0.913595 Te\n0.026437 0.000000 0.026437 S\n0.572230 0.052657 0.519573 S\n0.466916 0.947343 0.519573 S\n0.395497 0.153391 0.242105 S\n0.088714 0.846609 0.242105 S\n0.886556 0.158491 0.728065 S\n0.569573 0.841509 0.728065 S\n",
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{
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"structure_string": "Ce16 Si16 N24 O20\n1.0\n10.350855 0.000000 0.000000\n0.000000 10.350855 0.000000\n0.000000 0.000000 10.350855\nCe Si N O\n16 16 24 20\ndirect\n0.469445 0.181742 0.211384 Ce\n0.788616 0.969445 0.318258 Ce\n0.681742 0.288616 0.530555 Ce\n0.969445 0.318258 0.788616 Ce\n0.288616 0.530555 0.681742 Ce\n0.181742 0.211384 0.469445 Ce\n0.530555 0.681742 0.288616 Ce\n0.211384 0.469445 0.181742 Ce\n0.318258 0.788616 0.969445 Ce\n0.030555 0.818258 0.711384 Ce\n0.711384 0.030555 0.818258 Ce\n0.818258 0.711384 0.030555 Ce\n0.471196 0.971196 0.528804 Ce\n0.971196 0.528804 0.471196 Ce\n0.528804 0.471196 0.971196 Ce\n0.028804 0.028804 0.028804 Ce\n0.303966 0.926242 0.254172 Si\n0.745828 0.803966 0.573758 Si\n0.426242 0.245828 0.696034 Si\n0.803966 0.573758 0.745828 Si\n0.245828 0.696034 0.426242 Si\n0.926242 0.254172 0.303966 Si\n0.696034 0.426242 0.245828 Si\n0.254172 0.303966 0.926242 Si\n0.573758 0.745828 0.803966 Si\n0.196034 0.073758 0.754172 Si\n0.754172 0.196034 0.073758 Si\n0.073758 0.754172 0.196034 Si\n0.072638 0.572638 0.927362 Si\n0.572638 0.927362 0.072638 Si\n0.927362 0.072638 0.572638 Si\n0.427362 0.427362 0.427362 Si\n0.427990 0.946886 0.146667 N\n0.853333 0.927990 0.553114 N\n0.446886 0.353333 0.572010 N\n0.927990 0.553114 0.853333 N\n0.353333 0.572010 0.446886 N\n0.946886 0.146667 0.427990 N\n0.572010 0.446886 0.353333 N\n0.146667 0.427990 0.946886 N\n0.553114 0.853333 0.927990 N\n0.072010 0.053114 0.646667 N\n0.646667 0.072010 0.053114 N\n0.053114 0.646667 0.072010 N\n0.177380 0.879680 0.156819 N\n0.843181 0.677380 0.620320 N\n0.379680 0.343181 0.822620 N\n0.677380 0.620320 0.843181 N\n0.343181 0.822620 0.379680 N\n0.879680 0.156819 0.177380 N\n0.822620 0.379680 0.343181 N\n0.156819 0.177380 0.879680 N\n0.620320 0.843181 0.677380 N\n0.322620 0.120320 0.656819 N\n0.656819 0.322620 0.120320 N\n0.120320 0.656819 0.322620 N\n0.293119 0.069368 0.329036 O\n0.670964 0.793119 0.430632 O\n0.569368 0.170964 0.706881 O\n0.793119 0.430632 0.670964 O\n0.170964 0.706881 0.569368 O\n0.069368 0.329036 0.293119 O\n0.706881 0.569368 0.170964 O\n0.329036 0.293119 0.069368 O\n0.430632 0.670964 0.793119 O\n0.206881 0.930632 0.829036 O\n0.829036 0.206881 0.930632 O\n0.930632 0.829036 0.206881 O\n0.165660 0.665660 0.834340 O\n0.665660 0.834340 0.165660 O\n0.834340 0.165660 0.665660 O\n0.334340 0.334340 0.334340 O\n0.598240 0.098240 0.401760 O\n0.098240 0.401760 0.598240 O\n0.401760 0.598240 0.098240 O\n0.901760 0.901760 0.901760 O\n",
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{
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{
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{
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