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{
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"spacegroup": 1
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{
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"structure_string": "Ca2 Sn2 S6\n1.0\n5.800121 -3.539457 0.000000\n5.800121 3.539457 0.000000\n3.640208 0.000000 5.737425\nCa Sn S\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.859809 0.640191 0.250000 S\n0.250000 0.859809 0.640191 S\n0.640191 0.250000 0.859809 S\n0.750000 0.140191 0.359809 S\n0.359809 0.750000 0.140191 S\n0.140191 0.359809 0.750000 S\n",
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{
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"structure_string": "Na12 P12 O36\n1.0\n7.806553 0.000000 0.000000\n0.000000 8.031492 0.000000\n0.000000 0.000000 13.420372\nNa P O\n12 12 36\ndirect\n0.816605 0.005593 0.426545 Na\n0.036514 0.750000 0.222785 Na\n0.463486 0.250000 0.722785 Na\n0.316605 0.494407 0.073455 Na\n0.183395 0.505593 0.573455 Na\n0.683395 0.505593 0.926545 Na\n0.963486 0.250000 0.777215 Na\n0.316605 0.005593 0.073455 Na\n0.183395 0.994407 0.573455 Na\n0.683395 0.994407 0.926545 Na\n0.536514 0.750000 0.277215 Na\n0.816605 0.494407 0.426545 Na\n0.753525 0.932146 0.670628 P\n0.023547 0.750000 0.961630 P\n0.523547 0.750000 0.538370 P\n0.253525 0.567854 0.829372 P\n0.476453 0.250000 0.461630 P\n0.246475 0.432146 0.329372 P\n0.246475 0.067854 0.329372 P\n0.746475 0.067854 0.170628 P\n0.753525 0.567854 0.670628 P\n0.746475 0.432146 0.170628 P\n0.976453 0.250000 0.038370 P\n0.253525 0.932146 0.829372 P\n0.137355 0.750000 0.052334 O\n0.362645 0.250000 0.552334 O\n0.573262 0.592663 0.609927 O\n0.573262 0.907337 0.609927 O\n0.781270 0.943626 0.251756 O\n0.073262 0.907337 0.890073 O\n0.781270 0.556374 0.251756 O\n0.637355 0.750000 0.447666 O\n0.426738 0.092663 0.390073 O\n0.718730 0.056374 0.751756 O\n0.926738 0.407337 0.109927 O\n0.833245 0.750000 0.972227 O\n0.604665 0.036614 0.098195 O\n0.726376 0.250000 0.223425 O\n0.426738 0.407337 0.390073 O\n0.166755 0.250000 0.027773 O\n0.218730 0.443626 0.748244 O\n0.666755 0.250000 0.472227 O\n0.281270 0.556374 0.248244 O\n0.862645 0.250000 0.947666 O\n0.718730 0.443626 0.751756 O\n0.104665 0.036614 0.401805 O\n0.773624 0.750000 0.723425 O\n0.895335 0.963386 0.598195 O\n0.218730 0.056374 0.748244 O\n0.281270 0.943626 0.248244 O\n0.926738 0.092663 0.109927 O\n0.273624 0.750000 0.776575 O\n0.604665 0.463386 0.098195 O\n0.333245 0.750000 0.527773 O\n0.895335 0.536614 0.598195 O\n0.104665 0.463386 0.401805 O\n0.073262 0.592663 0.890073 O\n0.395335 0.963386 0.901805 O\n0.226376 0.250000 0.276575 O\n0.395335 0.536614 0.901805 O\n",
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{
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"structure_string": "Al4 Cu4 O12\n1.0\n6.781667 0.000000 0.000000\n0.000000 4.709123 0.000000\n0.000000 0.490955 6.213383\nAl Cu O\n4 4 12\ndirect\n0.197756 0.518492 0.748111 Al\n0.697756 0.481508 0.751889 Al\n0.302244 0.518492 0.248111 Al\n0.802244 0.481508 0.251889 Al\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.605581 0.851168 0.758462 O\n0.894419 0.851168 0.258462 O\n0.188520 0.695281 0.002837 O\n0.311480 0.695281 0.502837 O\n0.943571 0.660784 0.669671 O\n0.556429 0.660784 0.169671 O\n0.443571 0.339216 0.830329 O\n0.056429 0.339216 0.330329 O\n0.688520 0.304719 0.497163 O\n0.811480 0.304719 0.997163 O\n0.105581 0.148832 0.741538 O\n0.394419 0.148832 0.241538 O\n",
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{
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