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{
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{
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{
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"structure_string": "Ba16 Mo8 O24 F52\n1.0\n8.734494 0.000000 0.000000\n0.000000 11.802668 0.000000\n0.000000 0.000000 16.298004\nBa Mo O F\n16 8 24 52\ndirect\n0.487254 0.500000 0.816058 Ba\n0.512746 0.500000 0.183942 Ba\n0.012746 0.000000 0.316058 Ba\n0.987254 0.000000 0.683942 Ba\n0.247729 0.320496 0.604001 Ba\n0.752271 0.320496 0.395999 Ba\n0.252271 0.179504 0.104001 Ba\n0.747729 0.179504 0.895999 Ba\n0.752271 0.679504 0.395999 Ba\n0.247729 0.679504 0.604001 Ba\n0.747729 0.820496 0.895999 Ba\n0.252271 0.820496 0.104001 Ba\n0.012417 0.500000 0.814367 Ba\n0.987583 0.500000 0.185633 Ba\n0.487583 0.000000 0.314367 Ba\n0.512417 0.000000 0.685633 Ba\n0.245093 0.159160 0.839258 Mo\n0.754907 0.159160 0.160742 Mo\n0.254907 0.340840 0.339258 Mo\n0.745093 0.340840 0.660742 Mo\n0.754907 0.840840 0.160742 Mo\n0.245093 0.840840 0.839258 Mo\n0.745093 0.659160 0.660742 Mo\n0.254907 0.659160 0.339258 Mo\n0.752123 0.000000 0.548993 O\n0.247877 0.000000 0.451007 O\n0.747877 0.500000 0.048993 O\n0.252123 0.500000 0.951007 O\n0.045136 0.149612 0.825049 O\n0.954864 0.149612 0.174951 O\n0.454864 0.350388 0.325049 O\n0.545136 0.350388 0.674951 O\n0.954864 0.850388 0.174951 O\n0.045136 0.850388 0.825049 O\n0.545136 0.649612 0.674951 O\n0.454864 0.649612 0.325049 O\n0.265841 0.191195 0.941666 O\n0.734159 0.191195 0.058334 O\n0.234159 0.308805 0.441666 O\n0.765841 0.308805 0.558334 O\n0.734159 0.808805 0.058334 O\n0.265841 0.808805 0.941666 O\n0.765841 0.691195 0.558334 O\n0.234159 0.691195 0.441666 O\n0.285590 0.000000 0.839975 O\n0.714410 0.000000 0.160025 O\n0.214410 0.500000 0.339975 O\n0.785590 0.500000 0.660025 O\n0.747985 0.000000 0.795449 F\n0.252015 0.000000 0.204551 F\n0.752015 0.500000 0.295449 F\n0.247985 0.500000 0.704551 F\n0.253637 0.323968 0.805827 F\n0.746363 0.323968 0.194173 F\n0.246363 0.176032 0.305827 F\n0.753637 0.176032 0.694173 F\n0.746363 0.676032 0.194173 F\n0.253637 0.676032 0.805827 F\n0.753637 0.823968 0.694173 F\n0.246363 0.823968 0.305827 F\n0.250273 0.130414 0.702660 F\n0.749727 0.130414 0.297340 F\n0.249727 0.369586 0.202660 F\n0.750273 0.369586 0.797340 F\n0.749727 0.869586 0.297340 F\n0.250273 0.869586 0.702660 F\n0.750273 0.630414 0.797340 F\n0.249727 0.630414 0.202660 F\n0.974315 0.328638 0.692722 F\n0.025685 0.328638 0.307278 F\n0.525685 0.171362 0.192722 F\n0.474315 0.171362 0.807278 F\n0.025685 0.671362 0.307278 F\n0.974315 0.671362 0.692722 F\n0.474315 0.828638 0.807278 F\n0.525685 0.828638 0.192722 F\n0.453575 0.145089 0.556956 F\n0.546425 0.145089 0.443044 F\n0.046425 0.354911 0.056956 F\n0.953575 0.354911 0.943044 F\n0.546425 0.854911 0.443044 F\n0.453575 0.854911 0.556956 F\n0.953575 0.645089 0.943044 F\n0.046425 0.645089 0.056956 F\n0.052227 0.140345 0.555133 F\n0.947773 0.140345 0.444867 F\n0.447773 0.359655 0.055133 F\n0.552227 0.359655 0.944867 F\n0.947773 0.859655 0.444867 F\n0.052227 0.859655 0.555133 F\n0.552227 0.640345 0.944867 F\n0.447773 0.640345 0.055133 F\n0.408244 0.500000 0.536368 F\n0.591756 0.500000 0.463632 F\n0.091756 0.000000 0.036368 F\n0.908244 0.000000 0.963632 F\n0.570562 0.000000 0.951422 F\n0.429438 0.000000 0.048578 F\n0.929438 0.500000 0.451422 F\n0.070562 0.500000 0.548578 F\n",
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"formula_full": "Ba16 Mo8 O24 F52",
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{
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"structure_string": "Ba2 Pr4 Co2 S10\n1.0\n-3.963362 3.963362 6.764534\n3.963362 -3.963362 6.764534\n3.963362 3.963362 -6.764534\nBa Pr Co S\n2 4 2 10\ndirect\n0.250000 0.250000 0.000000 Ba\n0.750000 0.750000 0.000000 Ba\n0.336784 0.163216 0.500000 Pr\n0.163216 0.663216 0.826432 Pr\n0.836784 0.336784 0.173568 Pr\n0.663216 0.836784 0.500000 Pr\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.490928 0.990928 0.209267 S\n0.218338 0.718338 0.209267 S\n0.509072 0.009072 0.790733 S\n0.009072 0.218338 0.500000 S\n0.718338 0.509072 0.500000 S\n0.990928 0.781662 0.500000 S\n0.281662 0.490928 0.500000 S\n0.781662 0.281662 0.790733 S\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 S\n",
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{
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{
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{
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"structure_string": "Li6 Fe4 P4 C4 O28\n1.0\n6.462443 0.000000 0.000000\n0.071494 9.416983 0.000000\n0.062205 4.635956 9.018815\nLi Fe P C O\n6 4 4 4 28\ndirect\n0.261617 0.330706 0.563686 Li\n0.253129 0.831045 0.067206 Li\n0.033719 0.484427 0.234206 Li\n0.966281 0.515573 0.765794 Li\n0.746871 0.168955 0.932794 Li\n0.738383 0.669294 0.436314 Li\n0.747587 0.740030 0.930827 Fe\n0.744173 0.229590 0.436691 Fe\n0.255827 0.770410 0.563309 Fe\n0.252413 0.259970 0.069173 Fe\n0.243759 0.648421 0.931147 P\n0.247917 0.153127 0.425895 P\n0.752083 0.846873 0.574105 P\n0.756241 0.351579 0.068853 P\n0.762316 0.335937 0.625395 C\n0.752150 0.830855 0.129669 C\n0.247850 0.169145 0.870331 C\n0.237684 0.664063 0.374605 C\n0.742950 0.936402 0.990387 O\n0.755549 0.440394 0.485392 O\n0.247846 0.139368 0.762162 O\n0.748121 0.187528 0.651652 O\n0.218799 0.629096 0.268221 O\n0.759344 0.681866 0.152017 O\n0.062506 0.745362 0.952890 O\n0.437511 0.733263 0.948924 O\n0.063925 0.257300 0.434507 O\n0.437168 0.242578 0.445157 O\n0.749256 0.856448 0.721341 O\n0.238662 0.980282 0.551926 O\n0.770104 0.360664 0.216740 O\n0.228879 0.474173 0.060589 O\n0.771121 0.525827 0.939411 O\n0.229896 0.639336 0.783260 O\n0.761338 0.019718 0.448074 O\n0.250744 0.143552 0.278659 O\n0.562832 0.757422 0.554843 O\n0.936075 0.742700 0.565493 O\n0.937494 0.254638 0.047110 O\n0.562489 0.266737 0.051076 O\n0.240656 0.318134 0.847983 O\n0.781201 0.370904 0.731779 O\n0.251879 0.812472 0.348348 O\n0.752154 0.860632 0.237838 O\n0.244451 0.559606 0.514608 O\n0.257050 0.063598 0.009613 O\n",
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{
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{
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{
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{
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]
}