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{
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{
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{
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"structure_string": "Ca12 B24 O48\n1.0\n9.088439 0.000000 0.000000\n0.000000 9.088439 0.000000\n0.000000 0.000000 9.088439\nCa B O\n12 24 48\ndirect\n0.372994 0.127006 0.872994 Ca\n0.127006 0.872994 0.372994 Ca\n0.872994 0.372994 0.127006 Ca\n0.627006 0.627006 0.627006 Ca\n0.627006 0.872994 0.127006 Ca\n0.872994 0.127006 0.627006 Ca\n0.127006 0.627006 0.872994 Ca\n0.372994 0.372994 0.372994 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.810021 0.845181 0.381141 B\n0.618859 0.189979 0.154819 B\n0.118859 0.310021 0.845181 B\n0.381141 0.689979 0.345181 B\n0.310021 0.845181 0.118859 B\n0.345181 0.381141 0.689979 B\n0.845181 0.118859 0.310021 B\n0.189979 0.154819 0.618859 B\n0.154819 0.618859 0.189979 B\n0.689979 0.345181 0.381141 B\n0.810021 0.654819 0.881141 B\n0.654819 0.881141 0.810021 B\n0.118859 0.189979 0.345181 B\n0.345181 0.118859 0.189979 B\n0.189979 0.345181 0.118859 B\n0.310021 0.654819 0.618859 B\n0.845181 0.381141 0.810021 B\n0.881141 0.810021 0.654819 B\n0.154819 0.881141 0.689979 B\n0.654819 0.618859 0.310021 B\n0.689979 0.154819 0.881141 B\n0.618859 0.310021 0.654819 B\n0.881141 0.689979 0.154819 B\n0.381141 0.810021 0.845181 B\n0.590664 0.282309 0.494385 O\n0.909336 0.717691 0.994385 O\n0.994385 0.909336 0.717691 O\n0.717691 0.994385 0.909336 O\n0.782309 0.005615 0.409336 O\n0.494385 0.590664 0.282309 O\n0.282309 0.494385 0.590664 O\n0.505615 0.090664 0.217691 O\n0.005615 0.409336 0.782309 O\n0.217691 0.505615 0.090664 O\n0.409336 0.782309 0.005615 O\n0.090664 0.217691 0.505615 O\n0.332486 0.267980 0.120491 O\n0.120491 0.332486 0.267980 O\n0.267980 0.120491 0.332486 O\n0.232020 0.879509 0.832486 O\n0.620491 0.167514 0.732020 O\n0.732020 0.620491 0.167514 O\n0.379509 0.667514 0.767980 O\n0.879509 0.832486 0.232020 O\n0.767980 0.379509 0.667514 O\n0.832486 0.232020 0.879509 O\n0.667514 0.767980 0.379509 O\n0.167514 0.732020 0.620491 O\n0.667514 0.732020 0.879509 O\n0.879509 0.667514 0.732020 O\n0.732020 0.879509 0.667514 O\n0.767980 0.120491 0.167514 O\n0.379509 0.832486 0.267980 O\n0.267980 0.379509 0.832486 O\n0.620491 0.332486 0.232020 O\n0.120491 0.167514 0.767980 O\n0.232020 0.620491 0.332486 O\n0.167514 0.767980 0.120491 O\n0.332486 0.232020 0.620491 O\n0.832486 0.267980 0.379509 O\n0.090664 0.282309 0.005615 O\n0.005615 0.090664 0.282309 O\n0.282309 0.005615 0.090664 O\n0.409336 0.717691 0.505615 O\n0.505615 0.409336 0.717691 O\n0.717691 0.505615 0.409336 O\n0.494385 0.909336 0.782309 O\n0.994385 0.590664 0.217691 O\n0.782309 0.494385 0.909336 O\n0.590664 0.217691 0.994385 O\n0.909336 0.782309 0.494385 O\n0.217691 0.994385 0.590664 O\n",
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{
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"structure_string": "Rb4 Li2 Ga2 F12\n1.0\n9.830890 -2.983410 0.000000\n9.830890 2.983410 0.000000\n8.925506 0.000000 5.087483\nRb Li Ga F\n4 2 2 12\ndirect\n0.717124 0.717124 0.717124 Rb\n0.282876 0.282876 0.282876 Rb\n0.872438 0.872438 0.872438 Rb\n0.127562 0.127562 0.127562 Rb\n0.404058 0.404058 0.404058 Li\n0.595942 0.595942 0.595942 Li\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.193174 0.727535 0.193174 F\n0.806826 0.272465 0.806826 F\n0.193174 0.193174 0.727535 F\n0.727535 0.193174 0.193174 F\n0.806826 0.806826 0.272465 F\n0.272465 0.806826 0.806826 F\n0.164866 0.606735 0.606735 F\n0.606735 0.606735 0.164866 F\n0.606735 0.164866 0.606735 F\n0.393265 0.835134 0.393265 F\n0.835134 0.393265 0.393265 F\n0.393265 0.393265 0.835134 F\n",
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{
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"structure_string": "Ca4 P4 H12 O16\n1.0\n6.792947 0.000000 0.000000\n0.000000 7.748762 0.000000\n0.000000 2.745052 7.492331\nCa P H O\n4 4 12 16\ndirect\n0.871560 0.389765 0.351895 Ca\n0.371560 0.610235 0.148105 Ca\n0.128440 0.610235 0.648105 Ca\n0.628440 0.389765 0.851895 Ca\n0.866295 0.724159 0.989016 P\n0.366295 0.275841 0.510984 P\n0.133705 0.275841 0.010984 P\n0.633705 0.724159 0.489016 P\n0.945679 0.187135 0.722343 H\n0.445679 0.812865 0.777657 H\n0.054321 0.812865 0.277657 H\n0.554321 0.187135 0.222343 H\n0.918877 0.003475 0.679292 H\n0.418877 0.996525 0.820708 H\n0.081123 0.996525 0.320708 H\n0.581123 0.003475 0.179292 H\n0.226304 0.114095 0.009246 H\n0.726304 0.885905 0.490754 H\n0.773696 0.885905 0.990754 H\n0.273696 0.114095 0.509246 H\n0.904780 0.139202 0.627507 O\n0.789540 0.567237 0.541846 O\n0.210460 0.432763 0.458154 O\n0.710460 0.567237 0.041846 O\n0.475573 0.675551 0.638520 O\n0.975573 0.324449 0.861480 O\n0.524427 0.324449 0.361480 O\n0.024427 0.675551 0.138520 O\n0.552346 0.765509 0.300376 O\n0.052346 0.234491 0.199624 O\n0.447654 0.234491 0.699624 O\n0.947654 0.765509 0.800376 O\n0.095220 0.860798 0.372493 O\n0.595220 0.139202 0.127507 O\n0.289540 0.432763 0.958154 O\n0.404780 0.860798 0.872493 O\n",
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{
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{
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