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O\n0.125445 0.992108 0.615119 O\n0.866663 0.874555 0.615119 O\n0.992108 0.866663 0.115119 O\n0.874555 0.007892 0.115119 O\n0.133337 0.125445 0.115119 O\n0.007911 0.132653 0.906376 O\n0.124743 0.992089 0.906376 O\n0.867347 0.875257 0.906376 O\n0.992089 0.867347 0.406376 O\n0.875257 0.007911 0.406376 O\n0.132653 0.124743 0.406376 O\n0.666667 0.333333 0.355295 O\n0.333333 0.666667 0.855295 O\n","nsites":122,"nelements":6,"elements":["Ca","Si","H","C","S","O"],"chemical_system":"C-Ca-H-O-S-Si","density":1.8526377982188187,"density_atomic":0.10930733523512508,"volume":1116.1190576787224,"volume_molar":5.509365631360512,"formula_full":"Ca6 Si2 H60 C2 S2 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0.847614 Mn\n0.110793 0.277062 0.138842 Fe\n0.610830 0.277071 0.638862 Fe\n0.169438 0.600354 0.080840 P\n0.669432 0.600363 0.580848 P\n0.333553 0.096401 0.916715 P\n0.833537 0.096391 0.416726 P\n0.660454 0.903961 0.088427 P\n0.160452 0.903968 0.588440 P\n0.837033 0.402859 0.913966 P\n0.337038 0.402857 0.413965 P\n0.203098 0.450008 0.046610 O\n0.703081 0.450012 0.546651 O\n0.137629 0.661538 0.903504 O\n0.637636 0.661531 0.403481 O\n0.334651 0.673428 0.115685 O\n0.834670 0.673419 0.615701 O\n0.500413 0.389890 0.263055 O\n0.000398 0.389896 0.763050 O\n0.497930 0.890801 0.238760 O\n0.997928 0.890787 0.738767 O\n0.164520 0.173018 0.888553 O\n0.664502 0.173011 0.388571 O\n0.357684 0.161542 0.097517 O\n0.857672 0.161531 0.597538 O\n0.294988 0.947311 0.955256 O\n0.794995 0.947305 0.455253 O\n0.709428 0.047026 0.036693 O\n0.209395 0.047035 0.536680 O\n0.635950 0.833251 0.908665 O\n0.135985 0.833251 0.408656 O\n0.828127 0.824245 0.120313 O\n0.328134 0.824227 0.620329 O\n0.496723 0.113980 0.765271 O\n0.996707 0.113965 0.265286 O\n0.502983 0.619032 0.736127 O\n0.002989 0.619053 0.236116 O\n0.672067 0.323090 0.876925 O\n0.172072 0.323097 0.376902 O\n0.866662 0.330903 0.091040 O\n0.366650 0.330906 0.591044 O\n0.785912 0.546083 0.968717 O\n0.285914 0.546085 0.468714 O\n","nsites":52,"nelements":6,"elements":["Li","Mg","Mn","Fe","P","O"],"chemical_system":"Fe-Li-Mg-Mn-O-P","density":3.1522538599882397,"density_atomic":0.08922658690833717,"volume":582.7859363646826,"volume_molar":6.749267195647156,"formula_full":"Li4 Mg4 Mn2 Fe2 P8 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