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{
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{
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"structure_string": "Ca4 Fe4 O10\n1.0\n5.370570 0.000000 0.000000\n0.000000 5.514668 0.000000\n0.000000 0.000000 8.236567\nCa Fe O\n4 4 10\ndirect\n0.962321 0.784919 0.500000 Ca\n0.462321 0.215081 0.000000 Ca\n0.556790 0.294280 0.500000 Ca\n0.056790 0.705720 0.000000 Ca\n0.488536 0.747819 0.719888 Fe\n0.988536 0.252181 0.780112 Fe\n0.988536 0.252181 0.219888 Fe\n0.488536 0.747819 0.280112 Fe\n0.876742 0.293693 0.000000 O\n0.376742 0.706307 0.500000 O\n0.731978 0.027301 0.309961 O\n0.231978 0.972699 0.190039 O\n0.794870 0.525990 0.687316 O\n0.294870 0.474010 0.812684 O\n0.731978 0.027301 0.690039 O\n0.231978 0.972699 0.809961 O\n0.294870 0.474010 0.187316 O\n0.794870 0.525990 0.312684 O\n",
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"formula_full": "Ca4 Fe4 O10",
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{
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"structure_string": "Ba20 Ga4 Ru8 O44\n1.0\n5.917700 0.000000 0.000000\n0.000000 11.232891 0.000000\n0.000000 0.000000 19.026701\nBa Ga Ru O\n20 4 8 44\ndirect\n0.250000 0.606710 0.526545 Ba\n0.750000 0.393290 0.473455 Ba\n0.750000 0.106710 0.973455 Ba\n0.250000 0.893290 0.026545 Ba\n0.250000 0.808616 0.362005 Ba\n0.750000 0.191384 0.637995 Ba\n0.750000 0.308616 0.137995 Ba\n0.250000 0.691384 0.862005 Ba\n0.250000 0.131309 0.249953 Ba\n0.750000 0.868691 0.750047 Ba\n0.750000 0.631309 0.250047 Ba\n0.250000 0.368691 0.749953 Ba\n0.250000 0.452540 0.330720 Ba\n0.750000 0.547460 0.669280 Ba\n0.750000 0.952540 0.169280 Ba\n0.250000 0.047460 0.830720 Ba\n0.250000 0.528785 0.067585 Ba\n0.750000 0.471215 0.932415 Ba\n0.750000 0.028785 0.432415 Ba\n0.250000 0.971215 0.567585 Ba\n0.250000 0.761655 0.188403 Ga\n0.750000 0.238345 0.811597 Ga\n0.750000 0.261655 0.311597 Ga\n0.250000 0.738345 0.688403 Ga\n0.250000 0.204546 0.440858 Ru\n0.750000 0.795454 0.559142 Ru\n0.750000 0.704546 0.059142 Ru\n0.250000 0.295454 0.940858 Ru\n0.250000 0.209322 0.064235 Ru\n0.750000 0.790678 0.935765 Ru\n0.750000 0.709322 0.435765 Ru\n0.250000 0.290678 0.564235 Ru\n0.250000 0.042931 0.410324 O\n0.750000 0.957069 0.589676 O\n0.750000 0.542931 0.089676 O\n0.250000 0.457069 0.910324 O\n0.250000 0.308204 0.148851 O\n0.750000 0.691796 0.851149 O\n0.750000 0.808204 0.351149 O\n0.250000 0.191796 0.648851 O\n0.250000 0.638595 0.251496 O\n0.750000 0.361405 0.748504 O\n0.750000 0.138595 0.248504 O\n0.250000 0.861405 0.751496 O\n0.016006 0.106007 0.098659 O\n0.983994 0.893993 0.901341 O\n0.983994 0.606007 0.401341 O\n0.516006 0.893993 0.901341 O\n0.016006 0.393993 0.598659 O\n0.483994 0.106007 0.098659 O\n0.483994 0.393993 0.598659 O\n0.516006 0.606007 0.401341 O\n0.014427 0.324419 0.017165 O\n0.985573 0.675581 0.982835 O\n0.985573 0.824419 0.482835 O\n0.514427 0.675581 0.982835 O\n0.014427 0.175581 0.517165 O\n0.485573 0.324419 0.017165 O\n0.485573 0.175581 0.517165 O\n0.514427 0.824419 0.482835 O\n0.250000 0.382846 0.469788 O\n0.750000 0.617154 0.530212 O\n0.750000 0.882846 0.030212 O\n0.250000 0.117154 0.969788 O\n0.250000 0.910062 0.229350 O\n0.750000 0.089938 0.770650 O\n0.750000 0.410062 0.270650 O\n0.250000 0.589938 0.729350 O\n0.490984 0.247604 0.367359 O\n0.509016 0.752396 0.632641 O\n0.509016 0.747604 0.132641 O\n0.990984 0.752396 0.632641 O\n0.490984 0.252396 0.867359 O\n0.009016 0.247604 0.367359 O\n0.009016 0.252396 0.867359 O\n0.990984 0.747604 0.132641 O\n",
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{
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}