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"structure_string": "Ba4 Cu4\n1.0\n2.239961 -3.879726 -0.000000\n2.239961 3.879726 0.000000\n-0.000000 0.000000 16.229911\nBa Cu\n4 4\ndirect\n0.333333 0.666667 0.878342 Ba\n0.666667 0.333333 0.378342 Ba\n0.666667 0.333333 0.121658 Ba\n0.333333 0.666667 0.621658 Ba\n0.000000 0.000000 0.750000 Cu\n0.000000 0.000000 0.250000 Cu\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n",
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{
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"structure_string": "Pr3 Ga10 Ni1\n1.0\n4.297703 -0.000000 0.000000\n-0.000000 4.294864 0.000000\n0.000000 0.000000 15.283020\nPr Ga Ni\n3 10 1\ndirect\n0.500000 0.000000 0.500000 Pr\n0.000000 0.000000 0.248564 Pr\n0.000000 0.000000 0.751436 Pr\n0.500000 0.499999 0.183290 Ga\n0.500000 0.499999 0.816710 Ga\n0.500000 0.499999 0.342358 Ga\n0.500000 0.499999 0.657642 Ga\n0.000000 0.499999 0.419245 Ga\n0.000000 0.499999 0.580755 Ga\n0.000000 0.499999 0.084838 Ga\n0.000000 0.499999 0.915162 Ga\n0.500000 0.000000 0.084489 Ga\n0.500000 0.000000 0.915511 Ga\n0.000000 0.000000 0.000000 Ni\n",
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"structure_string": "Sr3 P6 N8 O6\n1.0\n3.666821 -6.351121 0.000000\n3.666821 6.351121 -0.000000\n-0.000000 -0.000000 6.056683\nSr P N O\n3 6 8 6\ndirect\n0.666667 0.333333 0.383360 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.616640 Sr\n0.824399 0.602180 0.888929 P\n0.602180 0.777780 0.111070 P\n0.397820 0.222220 0.888929 P\n0.175600 0.397820 0.111070 P\n0.777780 0.175600 0.888929 P\n0.222220 0.824399 0.111070 P\n0.027756 0.330311 0.893966 N\n0.666667 0.333333 0.918733 N\n0.333333 0.666667 0.081266 N\n0.302555 0.972244 0.893966 N\n0.697445 0.027756 0.106033 N\n0.669689 0.697445 0.893966 N\n0.330311 0.302555 0.106033 N\n0.972244 0.669689 0.106033 N\n0.927453 0.636423 0.660149 O\n0.072546 0.363577 0.339851 O\n0.363577 0.291031 0.660149 O\n0.291030 0.927453 0.339851 O\n0.708969 0.072546 0.660149 O\n0.636423 0.708969 0.339851 O\n",
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"structure_string": "Pt8 S8\n1.0\n6.501172 0.000000 0.000000\n-0.000000 6.501172 0.000000\n-0.000000 0.000000 6.674578\nPt S\n8 8\ndirect\n0.000000 0.000000 0.250000 Pt\n0.000000 0.000000 0.750000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 -0.000000 -0.000000 Pt\n0.528202 0.256148 0.500000 Pt\n0.471797 0.743852 0.500000 Pt\n0.256148 0.471797 -0.000000 Pt\n0.743852 0.528202 -0.000000 Pt\n0.805826 0.306819 0.273107 S\n0.194174 0.693181 0.273107 S\n0.306819 0.194174 0.773107 S\n0.693181 0.805826 0.773107 S\n0.194174 0.693181 0.726893 S\n0.805826 0.306819 0.726893 S\n0.693181 0.805826 0.226893 S\n0.306819 0.194174 0.226893 S\n",
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"structure_string": "Sm4 Bi4 Rh4\n1.0\n4.753384 0.000000 0.000000\n0.000000 7.359846 0.000000\n0.000000 0.000000 8.063762\nSm Bi Rh\n4 4 4\ndirect\n0.250000 0.012128 0.305474 Sm\n0.749999 0.987872 0.694526 Sm\n0.749999 0.487872 0.805474 Sm\n0.250000 0.512128 0.194526 Sm\n0.749999 0.817967 0.090607 Bi\n0.250000 0.682034 0.590607 Bi\n0.250000 0.182034 0.909393 Bi\n0.749999 0.317967 0.409393 Bi\n0.749999 0.214609 0.079119 Rh\n0.749999 0.714609 0.420881 Rh\n0.250000 0.285392 0.579119 Rh\n0.250000 0.785392 0.920881 Rh\n",
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{
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"structure_string": "K2 Se1 Br6\n1.0\n6.375424 0.000000 3.680853\n2.125141 6.010807 3.680853\n0.000000 0.000000 7.361705\nK Se Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Se\n0.750518 0.249481 0.249481 Br\n0.750518 0.750519 0.249481 Br\n0.249481 0.249481 0.750519 Br\n0.750518 0.249481 0.750519 Br\n0.249481 0.750519 0.249481 Br\n0.249481 0.750519 0.750519 Br\n",
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"structure_string": "Na4 V4 O12\n1.0\n5.752507 0.039581 1.436037\n1.581515 6.904497 0.831429\n0.055948 0.048150 7.131556\nNa V O\n4 4 12\ndirect\n0.249033 0.713590 0.286949 Na\n0.749033 0.286949 0.713590 Na\n0.249034 0.086272 0.914267 Na\n0.749034 0.914267 0.086272 Na\n0.264689 0.617099 0.798243 V\n0.233369 0.202301 0.383440 V\n0.733369 0.383440 0.202301 V\n0.764689 0.798242 0.617099 V\n0.452402 0.347939 0.358961 O\n0.952403 0.358960 0.347940 O\n0.545654 0.652604 0.641576 O\n0.334267 0.025554 0.228927 O\n0.834267 0.228927 0.025554 O\n0.163795 0.771614 0.974987 O\n0.663796 0.974987 0.771614 O\n0.327346 0.391309 0.894748 O\n0.827347 0.894748 0.391309 O\n0.045654 0.641576 0.652604 O\n0.670718 0.609231 0.105795 O\n0.170717 0.105795 0.609232 O\n",
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