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"structure_string": "Ba4 Y1 Mo1\n1.0\n-0.000000 4.876216 4.876216\n4.876216 -0.000000 4.876216\n4.876216 4.876216 0.000000\nBa Y Mo\n4 1 1\ndirect\n0.128118 0.623961 0.623961 Ba\n0.623961 0.623961 0.623961 Ba\n0.623961 0.128118 0.623961 Ba\n0.623961 0.623961 0.128118 Ba\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Mo\n",
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"structure_string": "Ba2 N4\n1.0\n4.130800 -0.009802 0.928765\n1.753151 3.740330 0.928765\n0.000651 0.000412 7.297545\nBa N\n2 4\ndirect\n0.796509 0.203491 0.249999 Ba\n0.203491 0.796509 0.749999 Ba\n0.150445 0.442792 0.454644 N\n0.557208 0.849556 0.045355 N\n0.442791 0.150445 0.954644 N\n0.849555 0.557209 0.545354 N\n",
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"structure_string": "Ba2 N1\n1.0\n3.908267 0.018688 6.833584\n1.830475 3.453153 6.833584\n0.030889 0.018688 7.872196\nBa N\n2 1\ndirect\n0.733604 0.733604 0.733604 Ba\n0.266396 0.266396 0.266396 Ba\n0.000000 0.000000 0.000000 N\n",
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