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0.980997 0.005212 Ir\n0.621308 0.311932 0.429819 Cl\n0.359688 0.681923 0.575185 Cl\n0.953127 0.198153 0.909508 O\n0.198559 0.092709 0.760031 O\n0.238303 0.373664 0.253777 O\n0.746853 0.627086 0.747358 O\n0.752960 0.141408 0.748126 O\n0.045941 0.779394 0.099606 O\n0.252804 0.879168 0.257212 O\n0.502706 0.247724 0.112727 O\n0.043927 0.242909 0.095058 O\n0.497523 0.756142 0.885795 O\n0.793205 0.893074 0.244579 O\n0.929566 0.732461 0.912761 O\n","nsites":24,"nelements":6,"elements":["Ba","Ca","Nb","Ir","Cl","O"],"chemical_system":"Ba-Ca-Cl-Ir-Nb-O","density":4.913370661953291,"density_atomic":0.047186117550621666,"volume":508.6241726552857,"volume_molar":12.762526506952808,"formula_full":"Ba6 Ca1 Nb2 Ir1 Cl2 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0.749642 O\n0.154346 0.406250 0.803136 O\n0.208878 0.960337 0.196055 O\n0.856343 0.540139 0.247719 O\n0.656941 0.410633 0.943064 O\n0.355956 0.602344 0.052911 O\n0.150092 0.972126 0.806536 O\n0.780471 0.963898 0.191974 O\n0.193162 0.331305 0.531009 O\n0.860404 0.726381 0.467645 O\n","nsites":19,"nelements":6,"elements":["Rb","Li","Cu","H","S","O"],"chemical_system":"Cu-H-Li-O-Rb-S","density":3.174603744067966,"density_atomic":0.08132574138514832,"volume":233.62836509560273,"volume_molar":7.404962632286266,"formula_full":"Rb1 Li1 Cu2 H3 S2 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0.029060 0.691114 C\n0.810631 0.970940 0.308886 C\n0.998793 0.063074 0.803427 N\n0.001207 0.936926 0.196573 N\n0.281412 0.159551 0.590239 N\n0.718588 0.840449 0.409761 N\n0.686181 0.693292 0.987356 Cl\n0.313819 0.306708 0.012644 Cl\n0.852566 0.512344 0.690071 Cl\n0.147434 0.487656 0.309929 Cl\n0.292637 0.879383 0.679957 O\n0.707363 0.120617 0.320043 O\n","nsites":22,"nelements":6,"elements":["Cd","H","C","N","Cl","O"],"chemical_system":"C-Cd-Cl-H-N-O","density":2.607236628444482,"density_atomic":0.07096643049705467,"volume":310.00572870736494,"volume_molar":8.485900612191475,"formula_full":"Cd2 H8 C2 N4 Cl4 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