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"structure_string": "Nd4 B4 O12\n1.0\n5.077419 0.000000 0.000000\n0.000000 5.743499 0.000000\n0.000000 0.000000 8.126031\nNd B O\n4 4 12\ndirect\n0.250000 0.758413 0.084901 Nd\n0.750000 0.241588 0.915099 Nd\n0.250000 0.258412 0.415099 Nd\n0.750000 0.741588 0.584901 Nd\n0.250000 0.916522 0.737043 B\n0.750000 0.083478 0.262957 B\n0.250000 0.416522 0.762957 B\n0.750000 0.583478 0.237043 B\n0.484151 0.412287 0.676815 O\n0.984151 0.587713 0.323185 O\n0.250000 0.900200 0.568548 O\n0.750000 0.099800 0.431452 O\n0.250000 0.400200 0.931452 O\n0.515849 0.587713 0.323185 O\n0.984151 0.087713 0.176815 O\n0.484151 0.912287 0.823185 O\n0.515849 0.087713 0.176815 O\n0.015849 0.412287 0.676815 O\n0.750000 0.599800 0.068548 O\n0.015849 0.912287 0.823185 O\n",
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{
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"structure_string": "Cu1 Pb1 O3\n1.0\n3.866438 -0.000000 0.000000\n0.000000 3.866438 0.000000\n-0.000000 -0.000000 3.866438\nCu Pb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n",
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"structure_string": "Tc4 O12 F4\n1.0\n5.085285 0.000000 0.000000\n0.000000 5.723484 -0.351561\n0.000000 -0.051251 9.310442\nTc O F\n4 12 4\ndirect\n0.082444 0.675943 0.360852 Tc\n0.917557 0.324057 0.639148 Tc\n0.417556 0.675943 0.860852 Tc\n0.582445 0.324057 0.139148 Tc\n0.078834 0.092540 0.696296 O\n0.774593 0.460531 0.791750 O\n0.921166 0.907459 0.303703 O\n0.659324 0.210929 0.546956 O\n0.421166 0.092540 0.196296 O\n0.840678 0.210929 0.046956 O\n0.225408 0.539468 0.208250 O\n0.340677 0.789070 0.453044 O\n0.578835 0.907459 0.803703 O\n0.274593 0.539468 0.708250 O\n0.725408 0.460531 0.291750 O\n0.159323 0.789070 0.953044 O\n0.637400 0.659626 0.043721 F\n0.362601 0.340373 0.956278 F\n0.137400 0.340373 0.456279 F\n0.862601 0.659626 0.543721 F\n",
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"structure_string": "Ca12 As4 N4\n1.0\n6.699943 -0.000000 0.000000\n0.000000 6.698078 0.000000\n0.000000 0.000000 9.508850\nCa As N\n12 4 4\ndirect\n0.039923 0.493953 0.250000 Ca\n0.717195 0.282816 0.479414 Ca\n0.782805 0.782816 0.020586 Ca\n0.282805 0.717184 0.979414 Ca\n0.282805 0.717184 0.520586 Ca\n0.217195 0.217184 0.979414 Ca\n0.217195 0.217184 0.520586 Ca\n0.717195 0.282816 0.020586 Ca\n0.960077 0.506047 0.750000 Ca\n0.539922 0.006047 0.750000 Ca\n0.460077 0.993953 0.250000 Ca\n0.782805 0.782816 0.479414 Ca\n0.001940 0.982960 0.750000 As\n0.498060 0.482960 0.750000 As\n0.501940 0.517040 0.250000 As\n0.998060 0.017040 0.250000 As\n-0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n-0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
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"structure_string": "Zn2 Ge2 O6\n1.0\n4.470347 -0.010812 3.196873\n1.638190 4.159381 3.196873\n-0.015920 -0.010812 5.495793\nZn Ge O\n2 2 6\ndirect\n0.368667 0.368668 0.368666 Zn\n0.631333 0.631333 0.631331 Zn\n0.155713 0.155713 0.155713 Ge\n0.844287 0.844287 0.844285 Ge\n0.046611 0.784196 0.439175 O\n0.784197 0.439176 0.046610 O\n0.439175 0.046611 0.784195 O\n0.953390 0.215804 0.560823 O\n0.560825 0.953389 0.215802 O\n0.215804 0.560825 0.953388 O\n",
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