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"structure_string": "Ba2 Y1 Ti3 O7\n1.0\n3.966753 0.000000 0.000000\n0.000000 4.004007 0.000000\n0.000000 0.000000 11.446827\nBa Y Ti O\n2 1 3 7\ndirect\n0.500000 0.500000 0.823468 Ba\n0.500000 0.500000 0.176532 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.638257 Ti\n0.000000 0.000000 0.361745 Ti\n0.000000 0.000000 -0.000002 Ti\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.629657 O\n0.500000 0.000000 0.370342 O\n0.000000 0.500000 0.629927 O\n0.000000 0.500000 0.370072 O\n0.000000 0.000000 0.826633 O\n0.000000 0.000000 0.173368 O\n",
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