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{
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"structure_string": "Ca8 Mn4 Ga4 O20\n1.0\n5.349898 -0.000003 -0.000001\n0.000003 5.580949 0.000004\n0.000001 -0.000007 14.917796\nCa Mn Ga O\n8 4 4 20\ndirect\n0.018507 0.525284 0.608554 Ca\n0.981488 0.474717 0.108555 Ca\n0.518508 0.974717 0.608554 Ca\n0.481488 0.025284 0.108556 Ca\n0.518511 0.974716 0.891445 Ca\n0.018509 0.525284 0.891445 Ca\n0.981488 0.474717 0.391445 Ca\n0.481490 0.025283 0.391446 Ca\n0.000000 -0.000002 0.500000 Mn\n0.499999 0.499998 0.500000 Mn\n0.499998 0.499999 -0.000000 Mn\n-0.000001 0.000001 0.000000 Mn\n0.047025 0.065664 0.749999 Ga\n0.952976 0.934339 0.250001 Ga\n0.547026 0.434337 0.750000 Ga\n0.452976 0.565664 0.250000 Ga\n0.738018 0.763455 0.015059 O\n0.901914 0.379023 0.750000 O\n0.965324 0.925952 0.642124 O\n0.465325 0.574052 0.642125 O\n0.098088 0.620980 0.250001 O\n0.261981 0.236544 0.984941 O\n0.034679 0.074052 0.357876 O\n0.761981 0.263454 0.984941 O\n0.238020 0.736548 0.484940 O\n0.965323 0.925948 0.857873 O\n0.238016 0.736545 0.015059 O\n0.738021 0.763451 0.484940 O\n0.598090 0.879021 0.250001 O\n0.534677 0.425946 0.357875 O\n0.261976 0.236549 0.515060 O\n0.401914 0.120979 0.750000 O\n0.034680 0.074053 0.142128 O\n0.465326 0.574051 0.857875 O\n0.761976 0.263449 0.515058 O\n0.534676 0.425950 0.142126 O\n",
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{
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"structure_string": "H20 C8 Cl4 O4\n1.0\n5.906024 0.000000 -2.134186\n0.000000 7.779288 0.000000\n-0.046583 0.000000 8.066731\nH C Cl O\n20 8 4 4\ndirect\n0.462507 0.833454 0.049427 H\n0.448756 0.438030 0.150329 H\n0.938329 0.237132 0.793644 H\n0.614948 0.520247 0.653030 H\n0.948756 0.061970 0.650328 H\n0.885052 0.020247 0.846969 H\n0.051244 0.938031 0.349671 H\n0.537493 0.166547 0.950572 H\n0.191298 0.815062 0.669586 H\n0.438329 0.262868 0.293644 H\n0.551244 0.561970 0.849671 H\n0.061671 0.762868 0.206355 H\n0.037493 0.333454 0.450572 H\n0.691297 0.684939 0.169586 H\n0.114948 0.979753 0.153031 H\n0.808702 0.184939 0.330413 H\n0.962507 0.666547 0.549427 H\n0.308702 0.315062 0.830413 H\n0.385052 0.479753 0.346969 H\n0.561671 0.737132 0.706355 H\n0.483486 0.399193 0.288531 C\n0.132251 0.681202 0.648039 C\n0.983486 0.100807 0.788531 C\n0.516514 0.600807 0.711468 C\n0.632250 0.818798 0.148039 C\n0.867749 0.318798 0.351960 C\n0.016514 0.899193 0.211469 C\n0.367750 0.181202 0.851960 C\n0.094190 0.622395 0.862173 Cl\n0.594189 0.877605 0.362173 Cl\n0.405811 0.122395 0.637826 Cl\n0.905810 0.377605 0.137826 Cl\n0.780282 0.926512 0.108688 O\n0.719717 0.426511 0.391311 O\n0.280283 0.573489 0.608688 O\n0.219718 0.073489 0.891311 O\n",
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"structure_string": "Ba4 H8 C8 O16\n1.0\n8.860846 0.000000 0.000000\n0.000000 7.638982 0.000000\n0.000000 0.000000 6.832715\nBa H C O\n4 8 8 16\ndirect\n0.911403 0.538255 0.327706 Ba\n0.588598 0.461744 0.827706 Ba\n0.411403 0.961744 0.672295 Ba\n0.088598 0.038256 0.172295 Ba\n0.446709 0.699226 0.250777 H\n0.053292 0.300774 0.750777 H\n0.946709 0.800774 0.749224 H\n0.553292 0.199226 0.249223 H\n0.738280 0.045594 0.986282 H\n0.761720 0.954406 0.486281 H\n0.238280 0.454406 0.013719 H\n0.261720 0.545594 0.513719 H\n0.264813 0.400705 0.496085 C\n0.235187 0.599295 -0.003915 C\n0.735187 0.900705 0.003915 C\n0.764814 0.099295 0.503916 C\n0.040971 0.871474 0.677809 C\n0.959029 0.371474 0.822192 C\n0.540971 0.628526 0.322192 C\n0.459029 0.128526 0.177808 C\n0.860189 0.182332 0.402417 O\n0.639811 0.817668 0.902417 O\n0.170477 0.334481 0.377116 O\n0.329523 0.665519 0.877116 O\n0.670477 0.165519 0.622885 O\n0.829524 0.834481 0.122884 O\n0.394012 0.007691 0.273225 O\n0.894012 0.492308 0.726775 O\n0.605989 0.507691 0.226775 O\n0.421732 0.176812 0.005705 O\n0.078268 0.823188 0.505705 O\n0.921732 0.323188 0.994296 O\n0.578269 0.676812 0.494296 O\n0.139811 0.682332 0.097584 O\n0.105989 0.992308 0.773226 O\n0.360189 0.317668 0.597584 O\n",
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