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{
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"spacegroup": 14
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{
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{
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"structure_string": "Ca12 Al8 Ge12\n1.0\n4.369357 0.000000 0.000000\n0.000000 11.438673 0.000000\n0.000000 0.000000 14.840859\nCa Al Ge\n12 8 12\ndirect\n0.250000 0.894479 0.566053 Ca\n0.750000 0.105521 0.433947 Ca\n0.250000 0.394479 0.933947 Ca\n0.750000 0.605521 0.066053 Ca\n0.250000 0.605065 0.437569 Ca\n0.750000 0.394935 0.562431 Ca\n0.250000 0.105065 0.062431 Ca\n0.750000 0.894935 0.937569 Ca\n0.750000 0.377476 0.296835 Ca\n0.250000 0.622524 0.703165 Ca\n0.750000 0.877476 0.203165 Ca\n0.250000 0.122524 0.796835 Ca\n0.750000 0.857009 0.708964 Al\n0.250000 0.142991 0.291036 Al\n0.750000 0.357009 0.791036 Al\n0.250000 0.642991 0.208964 Al\n0.250000 0.683532 0.911948 Al\n0.750000 0.316468 0.088052 Al\n0.250000 0.183532 0.588052 Al\n0.750000 0.816468 0.411948 Al\n0.250000 0.928755 0.361049 Ge\n0.750000 0.071245 0.638951 Ge\n0.250000 0.428755 0.138951 Ge\n0.750000 0.571245 0.861049 Ge\n0.250000 0.859779 0.799740 Ge\n0.750000 0.140221 0.200260 Ge\n0.250000 0.359779 0.700260 Ge\n0.750000 0.640221 0.299740 Ge\n0.250000 0.301012 0.433821 Ge\n0.750000 0.698988 0.566179 Ge\n0.250000 0.801012 0.066179 Ge\n0.750000 0.198988 0.933821 Ge\n",
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"formula_full": "Ca12 Al8 Ge12",
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{
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"structure_string": "Ti24 Se12\n1.0\n3.449071 0.000000 0.000000\n0.000000 11.740827 0.000000\n0.000000 0.000000 14.533398\nTi Se\n24 12\ndirect\n0.500000 0.354194 0.520357 Ti\n0.000000 0.885855 0.425806 Ti\n0.500000 0.915276 0.576212 Ti\n0.500000 0.970642 0.107895 Ti\n0.500000 0.614145 0.925806 Ti\n0.500000 0.645806 0.479643 Ti\n0.000000 0.470642 0.392105 Ti\n0.500000 0.385855 0.074194 Ti\n0.000000 0.188551 0.795011 Ti\n0.000000 0.090551 0.259916 Ti\n0.000000 0.811449 0.204989 Ti\n0.500000 0.084724 0.423788 Ti\n0.000000 0.854194 0.979643 Ti\n0.000000 0.529358 0.607895 Ti\n0.500000 0.029358 0.892105 Ti\n0.000000 0.415276 0.923788 Ti\n0.500000 0.590551 0.240084 Ti\n0.000000 0.584724 0.076212 Ti\n0.000000 0.114145 0.574194 Ti\n0.000000 0.145806 0.020357 Ti\n0.500000 0.311449 0.295011 Ti\n0.500000 0.409449 0.759916 Ti\n0.000000 0.909449 0.740084 Ti\n0.500000 0.688551 0.704989 Ti\n0.000000 0.312794 0.650066 Se\n0.500000 0.187206 0.150066 Se\n0.000000 0.568010 0.793477 Se\n0.500000 0.931990 0.293477 Se\n0.500000 0.744282 0.086094 Se\n0.000000 0.687206 0.349934 Se\n0.000000 0.431990 0.206523 Se\n0.000000 0.244282 0.413906 Se\n0.500000 0.068010 0.706523 Se\n0.500000 0.812794 0.849934 Se\n0.000000 0.755718 0.586094 Se\n0.500000 0.255718 0.913906 Se\n",
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{
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{
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{
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}