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"formula_full": "Li6 V6 P16 O58",
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{
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{
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"structure_string": "Zr7 Se8 N4\n1.0\n7.766333 0.587958 -0.100577\n9.627333 8.447050 0.128746\n4.633612 -5.574722 6.355366\nZr Se N\n7 8 4\ndirect\n0.007599 0.076247 0.006877 Zr\n0.163315 0.501040 0.611032 Zr\n0.617042 0.771654 0.128299 Zr\n0.290416 0.601591 0.258704 Zr\n0.714773 0.552746 0.373906 Zr\n0.234524 0.242829 0.894171 Zr\n0.833362 0.327992 0.734271 Zr\n0.039256 0.747816 0.075029 Se\n0.621092 0.622861 0.689144 Se\n0.508547 0.165390 0.054759 Se\n0.943512 0.238762 0.404256 Se\n0.501182 0.127472 0.524081 Se\n0.014822 0.777951 0.627393 Se\n0.429865 0.346244 0.784777 Se\n0.524757 0.843752 0.468012 Se\n0.478638 0.375248 0.300240 N\n0.541411 0.822328 0.947438 N\n0.909211 0.265619 0.934078 N\n0.634175 0.588857 0.179732 N\n",
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{
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"structure_string": "Ta2 Ti1 Mo1\n1.0\n-4.665669 5.485735 7.796952\n4.665669 -5.485735 7.796952\n4.665669 5.485735 -7.796952\nTa Ti Mo\n2 1 1\ndirect\n0.000000 0.253799 0.253799 Ta\n0.000000 0.746201 0.746201 Ta\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Mo\n",
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]
}