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            "formula_reduced": "BaY2NiO5",
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            "structure_string": "Ba4 Y2 Ni6 O14\n1.0\n-3.907966 -3.960484 -0.000272\n-3.907147 -0.000014 11.522910\n-3.907989 3.960500 -0.000295\nBa Y Ni O\n4 2 6 14\ndirect\n0.591165 0.817678 0.091204 Ba\n0.091208 0.817673 0.591169 Ba\n0.908799 0.182315 0.408846 Ba\n0.408843 0.182310 0.908810 Ba\n0.750007 0.500009 0.249985 Y\n0.249987 0.500006 0.750005 Y\n0.500041 0.999933 0.500032 Ni\n0.000004 0.999986 0.000014 Ni\n0.670657 0.658757 0.670657 Ni\n0.171347 0.657358 0.171351 Ni\n0.329348 0.341231 0.329349 Ni\n0.828647 0.342654 0.828646 Ni\n0.763169 0.999993 0.236862 O\n0.236835 0.999992 0.763151 O\n0.437721 0.623709 0.437721 O\n0.938534 0.623710 0.938536 O\n0.061454 0.376321 0.061453 O\n0.562258 0.376319 0.562257 O\n0.938623 0.623882 0.437474 O\n0.437500 0.623883 0.938593 O\n0.562494 0.376121 0.061407 O\n0.061398 0.376122 0.562499 O\n0.581721 0.836399 0.581721 O\n0.081085 0.837887 0.081083 O\n0.418238 0.163639 0.418251 O\n0.918915 0.162111 0.918927 O\n",
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            "volume_molar": 8.26193164479016,
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}