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"structure_string": "Ba2 Y1 Cu3 O6\n1.0\n3.905598 0.000000 0.000000\n0.000000 3.878321 0.000000\n0.000000 0.000000 11.740711\nBa Y Cu O\n2 1 3 6\ndirect\n0.500000 0.500000 0.822730 Ba\n0.500000 0.500000 0.169811 Ba\n0.500000 0.500000 0.512064 Y\n0.000000 0.000000 0.647604 Cu\n0.000000 0.000000 0.347404 Cu\n0.000000 0.000000 0.001543 Cu\n0.000000 0.500000 0.003464 O\n0.500000 0.000000 0.628658 O\n0.500000 0.000000 0.382857 O\n0.000000 0.500000 0.596776 O\n0.000000 0.000000 0.837646 O\n0.000000 0.000000 0.171095 O\n",
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"structure_string": "Ba1 Mg3\n1.0\n7.792357 0.380249 0.000000\n-1.783436 3.089003 0.000000\n0.000000 0.000000 5.221300\nBa Mg\n1 3\ndirect\n0.153760 0.653760 0.250000 Ba\n0.655809 0.655808 0.250000 Mg\n0.409839 0.409839 0.750000 Mg\n0.780591 0.280591 0.750000 Mg\n",
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{
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"structure_string": "Mg3 Mo1\n1.0\n6.131840 0.256632 0.000000\n-1.421834 2.462690 -0.000000\n0.000000 0.000000 4.889066\nMg Mo\n3 1\ndirect\n0.650994 0.650993 0.250000 Mg\n0.329602 0.329602 0.750001 Mg\n0.867956 0.367955 0.750001 Mg\n0.151448 0.651448 0.250000 Mo\n",
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{
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{
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