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"structure_string": "Ba2 Ti1 Re1\n1.0\n-0.000000 3.802139 3.802139\n3.802139 -0.000000 3.802139\n3.802139 3.802139 0.000000\nBa Ti Re\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Re\n",
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"structure_string": "Er2 Mn12 P7\n1.0\n9.096342 0.000000 0.000000\n-4.548171 7.877663 0.000000\n-0.000000 -0.000000 3.650585\nEr Mn P\n2 12 7\ndirect\n0.333333 0.666666 -0.000000 Er\n0.000000 0.000000 0.500001 Er\n0.451679 0.215282 0.500001 Mn\n0.763602 0.548321 0.500001 Mn\n0.784718 0.236397 0.500001 Mn\n0.096979 0.721565 0.500001 Mn\n0.624586 0.903021 0.500001 Mn\n0.278434 0.375413 0.500001 Mn\n0.942125 0.489143 -0.000000 Mn\n0.547017 0.057875 -0.000000 Mn\n0.236364 0.948275 -0.000000 Mn\n0.711911 0.763636 -0.000000 Mn\n0.051724 0.288088 -0.000000 Mn\n0.510856 0.452983 -0.000000 Mn\n0.546151 0.615857 0.500001 P\n0.791256 0.052665 -0.000000 P\n0.947335 0.738591 -0.000000 P\n0.261409 0.208744 -0.000000 P\n0.384143 0.930295 0.500001 P\n0.069705 0.453848 0.500001 P\n0.666667 0.333333 -0.000000 P\n",
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{
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"structure_string": "Er2 Se3\n1.0\n3.921419 0.000000 0.000000\n0.000000 3.921419 0.000000\n0.000000 0.000000 8.029454\nEr Se\n2 3\ndirect\n0.500000 0.000000 0.761651 Er\n0.000000 0.500000 0.238349 Er\n0.000000 0.500000 0.865616 Se\n0.500000 0.000000 0.134384 Se\n0.500000 0.500000 0.500000 Se\n",
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