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{
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"structure_string": "Ba1 Al1 Cu2 O5\n1.0\n3.710361 0.000000 0.000000\n0.000000 3.710361 0.000000\n0.000000 0.000000 7.743097\nBa Al Cu O\n1 1 2 5\ndirect\n0.500000 0.500000 0.978871 Ba\n0.500000 0.500000 0.470038 Al\n0.000000 0.000000 0.687885 Cu\n0.000000 0.000000 0.245701 Cu\n0.500000 0.000000 0.616575 O\n0.000000 0.500000 0.616575 O\n0.500000 0.000000 0.306144 O\n0.000000 0.500000 0.306144 O\n0.000000 0.000000 0.959975 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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"structure_string": "Mn6 O10 F2\n1.0\n-4.546964 0.000000 0.000000\n-0.010454 -5.453336 0.000000\n-0.005943 -0.470238 7.521835\nMn O F\n6 10 2\ndirect\n0.502042 0.999461 0.510787 Mn\n0.525855 0.337850 0.157998 Mn\n0.495314 0.662974 0.833210 Mn\n0.992242 0.330941 0.676241 Mn\n0.989996 0.678699 0.336332 Mn\n0.988232 0.989960 0.986952 Mn\n0.806201 0.566227 0.629428 O\n0.810154 0.225307 0.963112 O\n0.805824 0.902251 0.294976 O\n0.690116 0.893042 0.799030 O\n0.695157 0.233052 0.461164 O\n0.699243 0.568198 0.128462 O\n0.308388 0.433045 0.871445 O\n0.307133 0.768505 0.538444 O\n0.197134 0.769443 0.042188 O\n0.190883 0.100767 0.705067 O\n0.300584 0.104352 0.198424 F\n0.195500 0.435927 0.366736 F\n",
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{
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"structure_string": "Fe8 O14 F2\n1.0\n3.014529 -6.416752 0.000000\n3.014529 6.416752 0.000000\n0.000000 0.000000 6.635584\nFe O F\n8 14 2\ndirect\n0.375657 0.624343 0.020619 Fe\n0.874389 0.125611 0.993301 Fe\n0.634416 0.884575 0.492172 Fe\n0.115425 0.365584 0.492172 Fe\n0.365584 0.115425 0.992172 Fe\n0.884575 0.634416 0.992172 Fe\n0.624343 0.375657 0.520619 Fe\n0.125611 0.874389 0.493301 Fe\n0.219328 0.275748 0.999208 O\n0.724252 0.780672 0.999208 O\n0.375957 0.624043 0.317432 O\n0.874057 0.125943 0.296942 O\n0.126667 0.873333 0.187759 O\n0.873333 0.126667 0.687759 O\n0.529644 0.973062 0.999704 O\n0.026938 0.470356 0.999704 O\n0.275748 0.219328 0.499208 O\n0.780672 0.724252 0.499208 O\n0.973062 0.529644 0.499704 O\n0.470356 0.026938 0.499704 O\n0.624043 0.375957 0.817432 O\n0.125943 0.874057 0.796942 O\n0.376029 0.623971 0.701779 F\n0.623971 0.376029 0.201779 F\n",
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{
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"structure_string": "Lu4 Mg2 S8\n1.0\n-4.048509 4.048509 4.176328\n4.048509 -4.048509 4.176328\n4.048509 4.048509 -4.176328\nLu Mg S\n4 2 8\ndirect\n0.875000 0.757450 0.382451 Lu\n0.507450 0.125000 0.882450 Lu\n0.375000 0.492549 0.617549 Lu\n0.242549 0.625000 0.117549 Lu\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.507951 0.379976 0.259935 S\n0.751984 0.492049 0.872025 S\n0.120041 0.248016 0.740065 S\n0.620024 0.879959 0.127975 S\n0.242049 0.001984 0.372025 S\n0.998016 0.370041 0.240065 S\n0.629959 0.870024 0.627975 S\n0.129976 0.757951 0.759935 S\n",
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"structure_string": "Mn1 Ag2 Sn3 S8\n1.0\n-3.785083 2.769880 -5.833365\n3.828295 -4.722021 -7.189819\n-3.796238 -4.725092 -7.157717\nMn Ag Sn S\n1 2 3 8\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.567609 0.318048 0.750450 Sn\n0.432391 0.681952 0.249550 Sn\n0.000000 0.000000 0.000000 Sn\n0.452038 0.192025 0.211035 S\n0.820573 0.596412 0.243016 S\n0.546458 0.334124 0.269472 S\n0.184350 0.941154 0.219223 S\n0.547962 0.807975 0.788965 S\n0.179427 0.403588 0.756984 S\n0.453542 0.665876 0.730528 S\n0.815650 0.058846 0.780777 S\n",
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{
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