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"structure_string": "Mo1 F6\n1.0\n5.207745 0.000000 -1.841216\n-2.603873 4.510040 -1.841216\n-0.000000 -0.000000 5.523648\nMo F\n1 6\ndirect\n0.000000 0.000000 0.000000 Mo\n0.000000 0.710312 0.710312 F\n0.000000 0.289688 0.289688 F\n0.289688 0.000000 0.289688 F\n0.710313 0.000000 0.710312 F\n0.710313 0.710312 -0.000001 F\n0.289688 0.289688 -0.000000 F\n",
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"structure_string": "Ti4 Pd1\n1.0\n2.873045 -0.193579 -8.314472\n-0.264233 2.867410 -8.314472\n0.188871 0.193579 8.794837\nTi Pd\n4 1\ndirect\n0.403401 0.403402 -0.000000 Ti\n0.803209 0.803209 -0.000000 Ti\n0.196791 0.196791 -0.000000 Ti\n0.596598 0.596598 -0.000000 Ti\n0.000000 0.000000 0.000000 Pd\n",
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"structure_string": "Nd2 Tm6\n1.0\n7.132804 0.000000 0.000000\n-3.566402 6.177189 0.000000\n-0.000000 -0.000000 5.594583\nNd Tm\n2 6\ndirect\n0.666666 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.835257 0.164743 0.750000 Tm\n0.329484 0.164743 0.750000 Tm\n0.835257 0.670516 0.750000 Tm\n0.164743 0.835257 0.250000 Tm\n0.670516 0.835257 0.250000 Tm\n0.164743 0.329484 0.250000 Tm\n",
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"structure_string": "P3 N5\n1.0\n2.636284 0.000128 0.000046\n-0.000229 4.422769 -0.000130\n-1.318114 -2.211263 6.479117\nP N\n3 5\ndirect\n0.318301 0.865718 0.636593 P\n0.681706 0.229125 0.363408 P\n-0.000005 0.691760 0.000000 P\n0.223679 0.499948 0.447351 N\n0.776330 0.052599 0.552651 N\n0.896054 0.812839 0.792112 N\n0.499988 0.493690 0.000001 N\n0.103945 0.020727 0.207889 N\n",
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