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{
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{
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{
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{
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"structure_string": "Ba12 B4 P12 O48\n1.0\n-3.597494 7.239348 11.310691\n3.597494 -7.239348 11.310691\n3.597494 7.239348 -11.310691\nBa B P O\n12 4 12 48\ndirect\n0.569312 0.750000 0.319312 Ba\n0.930688 0.250000 0.180688 Ba\n0.430688 0.250000 0.680688 Ba\n0.069312 0.750000 0.819312 Ba\n0.211078 0.673447 0.236426 Ba\n0.288922 0.525348 0.462369 Ba\n0.562979 0.826553 0.037631 Ba\n0.937021 0.974652 0.263574 Ba\n0.788922 0.326553 0.763574 Ba\n0.711078 0.474652 0.537631 Ba\n0.437021 0.173447 0.962369 Ba\n0.062979 0.025348 0.736426 Ba\n0.167161 0.417161 0.750000 B\n0.832839 0.582839 0.250000 B\n0.667161 0.917161 0.750000 B\n0.332839 0.082839 0.250000 B\n0.964719 0.505218 0.788509 P\n0.535281 0.323790 0.540499 P\n0.283291 0.994782 0.959501 P\n0.216709 0.176210 0.711491 P\n0.035281 0.494782 0.211491 P\n0.464719 0.676210 0.459501 P\n0.716709 0.005218 0.040499 P\n0.783291 0.823790 0.288509 P\n0.324270 0.750000 0.074270 P\n0.175730 0.250000 0.425730 P\n0.675730 0.250000 0.925730 P\n0.824270 0.750000 0.574270 P\n0.070579 0.351150 0.177633 O\n0.570579 0.392945 0.719429 O\n0.173516 0.851150 0.780571 O\n0.326484 0.107055 0.677633 O\n0.952323 0.615946 0.333663 O\n0.547677 0.881340 0.663623 O\n0.717717 0.884054 0.836377 O\n0.782283 0.618660 0.166337 O\n0.047677 0.384054 0.666337 O\n0.452323 0.118660 0.336377 O\n0.282283 0.115946 0.163623 O\n0.217717 0.381340 0.833663 O\n0.705603 0.783615 0.580941 O\n0.794397 0.375338 0.078012 O\n0.368041 0.735777 0.522854 O\n0.702674 0.124662 0.919059 O\n0.294397 0.216385 0.419059 O\n0.205603 0.624662 0.921988 O\n0.202674 0.283615 0.578012 O\n0.297326 0.875338 0.080941 O\n0.673516 0.892945 0.322367 O\n0.929421 0.648850 0.822367 O\n0.826484 0.148850 0.219429 O\n0.429421 0.607055 0.280571 O\n0.880844 0.975714 0.496336 O\n0.619156 0.115491 0.094870 O\n0.520621 0.524286 0.405130 O\n0.979379 0.384509 0.003664 O\n0.119156 0.024286 0.503664 O\n0.380844 0.884509 0.905130 O\n0.479379 0.475714 0.594870 O\n0.020621 0.615491 0.996336 O\n0.912215 0.928865 0.784692 O\n0.587785 0.372477 0.016650 O\n0.855827 0.571135 0.483350 O\n0.644173 0.127523 0.715308 O\n0.087785 0.071135 0.215308 O\n0.412215 0.627523 0.983350 O\n0.144173 0.428865 0.516650 O\n0.355827 0.872477 0.284692 O\n0.287078 0.154813 0.022854 O\n0.212922 0.235777 0.867736 O\n0.868041 0.345187 0.632264 O\n0.631959 0.264223 0.477146 O\n0.712922 0.845187 0.977146 O\n0.787078 0.764223 0.132264 O\n0.131959 0.654813 0.367736 O\n0.797326 0.716385 0.421988 O\n",
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"formula_full": "Ba12 B4 P12 O48",
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{
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"structure_string": "Cu2 Pt2 O4\n1.0\n4.299130 0.000000 0.000000\n0.000000 4.311723 0.000000\n0.000000 0.000000 5.286640\nCu Pt O\n2 2 4\ndirect\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n0.237999 0.750000 0.250000 O\n0.237999 0.750000 0.750000 O\n0.762001 0.250000 0.250000 O\n0.762001 0.250000 0.750000 O\n",
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{
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"structure_string": "Pr4 Mo4 O16 F4\n1.0\n6.651184 0.000000 0.000000\n0.000000 7.081619 0.000000\n0.000000 4.450899 9.153064\nPr Mo O F\n4 4 16 4\ndirect\n0.628964 0.803442 0.422024 Pr\n0.871036 0.803442 0.922024 Pr\n0.371036 0.196558 0.577976 Pr\n0.128964 0.196558 0.077976 Pr\n0.636180 0.334003 0.834832 Mo\n0.863820 0.334003 0.334832 Mo\n0.363820 0.665997 0.165168 Mo\n0.136180 0.665997 0.665168 Mo\n0.660382 0.552922 0.872914 O\n0.839618 0.552922 0.372914 O\n0.339618 0.447078 0.127086 O\n0.160382 0.447078 0.627086 O\n0.902789 0.785821 0.588593 O\n0.597211 0.785821 0.088593 O\n0.097211 0.214179 0.411407 O\n0.402789 0.214179 0.911407 O\n0.607784 0.439280 0.636762 O\n0.892216 0.439280 0.136762 O\n0.392216 0.560720 0.363238 O\n0.107784 0.560720 0.863238 O\n0.856680 0.165988 0.918549 O\n0.643320 0.165988 0.418549 O\n0.143320 0.834012 0.081451 O\n0.356680 0.834012 0.581451 O\n0.883456 0.013412 0.260728 F\n0.616544 0.013412 0.760728 F\n0.116544 0.986588 0.739272 F\n0.383456 0.986588 0.239272 F\n",
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{
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{
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{
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{
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{
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{
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}