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"structure_string": "Na6 Ca6 Al2 As8\n1.0\n4.706874 -8.152545 0.000000\n4.706874 8.152545 -0.000000\n-0.000000 0.000000 7.184064\nNa Ca Al As\n6 6 2 8\ndirect\n0.136343 0.863656 0.827813 Na\n0.863655 0.727310 0.327813 Na\n0.272689 0.136344 0.327813 Na\n0.727310 0.863655 0.827813 Na\n0.136344 0.272689 0.827813 Na\n0.863656 0.136343 0.327813 Na\n0.474894 0.949789 0.499543 Ca\n0.474894 0.525105 0.499543 Ca\n0.525105 0.474894 0.999543 Ca\n0.949789 0.474894 0.999543 Ca\n0.050210 0.525105 0.499543 Ca\n0.525105 0.050210 0.999543 Ca\n0.333332 0.666667 0.120983 Al\n0.666667 0.333332 0.620982 Al\n0.333332 0.666667 0.769693 As\n0.189726 0.810273 0.228858 As\n0.810273 0.620547 0.728858 As\n0.379453 0.189726 0.728858 As\n0.620547 0.810273 0.228858 As\n0.189726 0.379453 0.228858 As\n0.810273 0.189726 0.728858 As\n0.666667 0.333332 0.269693 As\n",
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"structure_string": "Ba4 Y2 Cu6 O13\n1.0\n12.201174 -0.016609 2.802072\n10.976355 5.336028 2.690034\n-0.003438 0.015026 5.492106\nBa Y Cu O\n4 2 6 13\ndirect\n0.162742 0.645754 0.837258 Ba\n0.645752 0.162742 0.354247 Ba\n0.837258 0.354247 0.162742 Ba\n0.354247 0.837258 0.645752 Ba\n0.000000 0.500000 -0.000000 Y\n0.499999 0.000000 0.500000 Y\n0.743372 0.256628 0.743372 Cu\n0.256628 0.743373 0.256627 Cu\n0.933364 0.430463 0.569537 Cu\n0.430463 0.933365 0.066634 Cu\n0.066635 0.569537 0.430463 Cu\n0.569536 0.066636 0.933365 Cu\n0.304281 0.848041 0.151958 O\n0.151959 0.695720 0.304280 O\n0.695719 0.151960 0.848041 O\n0.690164 0.690166 0.809835 O\n0.190165 0.190165 0.309835 O\n0.311510 0.311512 0.688489 O\n0.190927 0.190928 0.809073 O\n0.809834 0.809835 0.690165 O\n0.309835 0.309835 0.190165 O\n0.809072 0.809073 0.190927 O\n0.848040 0.304281 0.695719 O\n0.688489 0.688489 0.311511 O\n0.500000 0.500000 0.500000 O\n",
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