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"spacegroup": 31
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{
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"structure_string": "Sm2 C1 N2 O2\n1.0\n1.927886 -3.339196 0.000000\n1.927886 3.339196 0.000000\n0.000000 0.000000 8.308202\nSm C N O\n2 1 2 2\ndirect\n0.666667 0.333333 0.820880 Sm\n0.333333 0.666667 0.179120 Sm\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.351107 N\n0.000000 0.000000 0.648893 N\n0.666667 0.333333 0.103235 O\n0.333333 0.666667 0.896765 O\n",
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{
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"structure_string": "Al4 Ga4 O12\n1.0\n4.889231 0.000000 0.000000\n0.000000 5.009529 0.000000\n0.000000 0.000000 7.448018\nAl Ga O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.014015 0.957043 0.750000 Ga\n0.485985 0.457043 0.750000 Ga\n0.514015 0.542957 0.250000 Ga\n0.985985 0.042957 0.250000 Ga\n0.132061 0.420152 0.250000 O\n0.181007 0.185489 0.571448 O\n0.181007 0.185489 0.928552 O\n0.318993 0.685489 0.571448 O\n0.318993 0.685489 0.928552 O\n0.367939 0.920152 0.250000 O\n0.632061 0.079848 0.750000 O\n0.681007 0.314511 0.071448 O\n0.681007 0.314511 0.428552 O\n0.818993 0.814511 0.071448 O\n0.818993 0.814511 0.428552 O\n0.867939 0.579848 0.750000 O\n",
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{
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{
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"structure_string": "Sr12 Y8 Ge12 O48\n1.0\n-6.629743 6.629743 6.629743\n6.629743 -6.629743 6.629743\n6.629743 6.629743 -6.629743\nSr Y Ge O\n12 8 12 48\ndirect\n0.750000 0.125000 0.375000 Sr\n0.250000 0.375000 0.125000 Sr\n0.125000 0.250000 0.375000 Sr\n0.375000 0.750000 0.125000 Sr\n0.750000 0.625000 0.875000 Sr\n0.125000 0.375000 0.750000 Sr\n0.625000 0.875000 0.750000 Sr\n0.250000 0.875000 0.625000 Sr\n0.875000 0.625000 0.250000 Sr\n0.625000 0.250000 0.875000 Sr\n0.875000 0.750000 0.625000 Sr\n0.375000 0.125000 0.250000 Sr\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Y\n0.125000 0.875000 0.250000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.750000 0.875000 0.125000 Ge\n0.125000 0.750000 0.875000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.875000 0.250000 0.125000 Ge\n0.250000 0.125000 0.875000 Ge\n0.750000 0.375000 0.625000 Ge\n0.625000 0.375000 0.250000 Ge\n0.409757 0.802187 0.789800 O\n0.880043 0.392430 0.090243 O\n0.107570 0.987613 0.697813 O\n0.512387 0.619957 0.710200 O\n0.697813 0.090243 0.710200 O\n0.619957 0.710200 0.512387 O\n0.619957 0.409757 0.107570 O\n0.710200 0.512387 0.619957 O\n0.802187 0.512387 0.392430 O\n0.987613 0.789800 0.880043 O\n0.789800 0.880043 0.987613 O\n0.710200 0.697813 0.090243 O\n0.409757 0.107570 0.619957 O\n0.392430 0.802187 0.512387 O\n0.090243 0.710200 0.697813 O\n0.107570 0.619957 0.409757 O\n0.512387 0.392430 0.802187 O\n0.090243 0.880043 0.392430 O\n0.987613 0.697813 0.107570 O\n0.197813 0.487613 0.607570 O\n0.697813 0.107570 0.987613 O\n0.789800 0.409757 0.802187 O\n0.392430 0.090243 0.880043 O\n0.880043 0.987613 0.789800 O\n0.590243 0.197813 0.210200 O\n0.119957 0.607570 0.909757 O\n0.892430 0.012387 0.302187 O\n0.487613 0.380043 0.289800 O\n0.302187 0.909757 0.289800 O\n0.380043 0.289800 0.487613 O\n0.380043 0.590243 0.892430 O\n0.289800 0.487613 0.380043 O\n0.119957 0.012387 0.210200 O\n0.607570 0.909757 0.119957 O\n0.210200 0.590243 0.197813 O\n0.197813 0.210200 0.590243 O\n0.302187 0.892430 0.012387 O\n0.012387 0.302187 0.892430 O\n0.909757 0.119957 0.607570 O\n0.487613 0.607570 0.197813 O\n0.892430 0.380043 0.590243 O\n0.909757 0.289800 0.302187 O\n0.607570 0.197813 0.487613 O\n0.590243 0.892430 0.380043 O\n0.289800 0.302187 0.909757 O\n0.210200 0.119957 0.012387 O\n0.012387 0.210200 0.119957 O\n0.802187 0.789800 0.409757 O\n",
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{
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