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{
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{
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{
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"structure_string": "Ba5 Lu8 Ni4 O21\n1.0\n-6.803814 6.803814 2.827856\n6.803814 -6.803814 2.827856\n6.803814 6.803814 -2.827856\nBa Lu Ni O\n5 8 4 21\ndirect\n0.139392 0.538085 0.677477 Ba\n0.860608 0.461915 0.322523 Ba\n0.538085 0.860608 0.398693 Ba\n0.461915 0.139392 0.601307 Ba\n0.000000 0.000000 0.000000 Ba\n0.411085 0.641947 0.053032 Lu\n0.588915 0.358053 0.946968 Lu\n0.641947 0.588915 0.230861 Lu\n0.358053 0.411085 0.769139 Lu\n0.250198 0.832430 0.082628 Lu\n0.749802 0.167570 0.917372 Lu\n0.832430 0.749802 0.582232 Lu\n0.167570 0.250198 0.417768 Lu\n0.040920 0.756273 0.797193 Ni\n0.959080 0.243727 0.202807 Ni\n0.756273 0.959080 0.715354 Ni\n0.243727 0.040920 0.284646 Ni\n0.926288 0.699917 0.128950 O\n0.073712 0.300083 0.871050 O\n0.570966 0.797338 0.871050 O\n0.699917 0.570966 0.773628 O\n0.429034 0.202662 0.128950 O\n0.300083 0.429034 0.226372 O\n0.797338 0.926288 0.226372 O\n0.202662 0.073712 0.773628 O\n0.899652 0.494604 0.891576 O\n0.100348 0.505396 0.108424 O\n0.603028 0.008076 0.108424 O\n0.494604 0.603028 0.594952 O\n0.396972 0.991924 0.891576 O\n0.505396 0.396972 0.405048 O\n0.008076 0.899652 0.405048 O\n0.991924 0.100348 0.594952 O\n0.500000 0.500000 0.000000 O\n0.367209 0.959900 0.327109 O\n0.632791 0.040100 0.672891 O\n0.959900 0.632791 0.592692 O\n0.040100 0.367209 0.407308 O\n",
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{
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{
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