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{
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{
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"structure_string": "Ba12 W8 N16\n1.0\n6.261086 0.000000 0.000000\n0.000000 10.910329 0.000000\n0.000000 0.000000 10.439602\nBa W N\n12 8 16\ndirect\n0.623927 0.159224 0.418736 Ba\n0.876073 0.840776 0.418736 Ba\n0.623927 0.340776 0.081264 Ba\n0.876073 0.659224 0.081264 Ba\n0.376073 0.840776 0.581264 Ba\n0.123927 0.159224 0.581264 Ba\n0.376073 0.659224 0.918736 Ba\n0.123927 0.340776 0.918736 Ba\n0.750000 0.500000 0.401714 Ba\n0.750000 0.000000 0.098286 Ba\n0.250000 0.500000 0.598286 Ba\n0.250000 0.000000 0.901714 Ba\n0.750000 0.500000 0.736950 W\n0.750000 0.000000 0.763050 W\n0.250000 0.500000 0.263050 W\n0.250000 0.000000 0.236950 W\n0.640997 0.250000 0.750000 W\n0.859003 0.750000 0.750000 W\n0.359003 0.750000 0.250000 W\n0.140997 0.250000 0.250000 W\n0.835883 0.350369 0.638096 N\n0.664117 0.649631 0.638096 N\n0.835883 0.149631 0.861904 N\n0.664117 0.850369 0.861904 N\n0.164117 0.649631 0.361904 N\n0.335883 0.350369 0.361904 N\n0.164117 0.850369 0.138096 N\n0.335883 0.149631 0.138096 N\n0.525792 0.411592 0.831557 N\n0.974208 0.588408 0.831557 N\n0.525792 0.088408 0.668443 N\n0.974208 0.911592 0.668443 N\n0.474208 0.588408 0.168443 N\n0.025792 0.411592 0.168443 N\n0.474208 0.911592 0.331557 N\n0.025792 0.088408 0.331557 N\n",
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{
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"structure_string": "Cs2 Mo1 Cl6\n1.0\n0.000000 5.305223 5.305223\n5.305223 0.000000 5.305223\n5.305223 5.305223 0.000000\nCs Mo Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Mo\n0.773441 0.226559 0.773441 Cl\n0.226559 0.773441 0.773441 Cl\n0.773441 0.773441 0.226559 Cl\n0.226559 0.773441 0.226559 Cl\n0.773441 0.226559 0.226559 Cl\n0.226559 0.226559 0.773441 Cl\n",
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{
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"structure_string": "Cu2 Si4 P6\n1.0\n1.819170 11.330981 0.000000\n-1.819170 11.330981 0.000000\n0.000000 0.503819 6.421939\nCu Si P\n2 4 6\ndirect\n0.268384 0.268384 0.254920 Cu\n0.360479 0.360479 0.881719 Cu\n0.843295 0.843295 0.369411 Si\n0.626431 0.626431 0.123270 Si\n0.751590 0.751590 0.767256 Si\n0.122000 0.122000 0.625813 Si\n0.379844 0.379844 0.204597 P\n0.725606 0.725606 0.105770 P\n0.849171 0.849171 0.707061 P\n0.082333 0.082333 0.970928 P\n0.221468 0.221468 0.586939 P\n0.581901 0.581901 0.464817 P\n",
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{
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{
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{
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{
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{
"id": "mp-978952",
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"structure_string": "Sn1 Pb1 O3\n1.0\n4.127671 0.000000 0.000000\n0.000000 4.127671 0.000000\n0.000000 0.000000 4.127671\nSn Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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}