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"structure_string": "Ta8 Mn2 S16\n1.0\n3.313583 -5.739294 -0.000000\n3.313583 5.739294 0.000000\n0.000000 -0.000000 11.802437\nTa Mn S\n8 2 16\ndirect\n0.505068 0.010136 0.250000 Ta\n0.010136 0.505068 0.750000 Ta\n0.494931 0.505068 0.750000 Ta\n0.505068 0.494931 0.250000 Ta\n0.989863 0.494931 0.250000 Ta\n0.494931 0.989863 0.750000 Ta\n0.000000 0.000000 0.250000 Ta\n0.000000 0.000000 0.750000 Ta\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666666 0.613569 S\n0.666666 0.333333 0.113569 S\n0.666666 0.333333 0.386431 S\n0.333333 0.666666 0.886432 S\n0.670063 0.835031 0.383887 S\n0.329937 0.164968 0.883888 S\n0.835031 0.670063 0.883888 S\n0.329937 0.164968 0.616113 S\n0.164968 0.329937 0.116113 S\n0.164968 0.835031 0.383887 S\n0.670063 0.835031 0.116113 S\n0.835031 0.164968 0.883888 S\n0.835031 0.164968 0.616113 S\n0.835031 0.670063 0.616113 S\n0.164968 0.835031 0.116113 S\n0.164968 0.329937 0.383887 S\n",
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"structure_string": "Li6 Fe2 P2 C2 O14\n1.0\n6.138158 0.000000 0.000000\n0.000000 4.986581 0.500674\n0.000000 0.521460 8.883901\nLi Fe P C O\n6 2 2 2 14\ndirect\n0.767088 0.073586 0.309672 Li\n0.232913 0.073586 0.309672 Li\n0.725131 0.289146 0.763004 Li\n0.274869 0.289146 0.763004 Li\n0.771206 0.770791 -0.047882 Li\n0.228794 0.770791 -0.047882 Li\n0.500000 0.551154 0.326505 Fe\n-0.000000 0.958547 0.645504 Fe\n0.500000 0.784081 0.625895 P\n-0.000000 0.525459 0.444665 P\n-0.000000 0.223730 0.010725 C\n0.500000 0.349496 0.061671 C\n0.500000 0.255644 0.936355 O\n0.300751 0.884995 0.713212 O\n0.699249 0.884995 0.713212 O\n-0.000000 0.380322 0.613512 O\n0.500000 0.476226 0.639988 O\n-0.000000 0.837299 0.440861 O\n0.500000 0.194227 0.192022 O\n0.798477 0.440982 0.361015 O\n0.201523 0.440982 0.361015 O\n-0.000000 0.104399 0.148265 O\n0.500000 0.613789 0.065571 O\n-0.000000 0.069285 0.901754 O\n0.500000 0.898810 0.453598 O\n-0.000000 0.483805 0.969671 O\n",
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{
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"structure_string": "Nb8 Fe2 S16\n1.0\n6.674036 0.000000 0.000000\n-3.337018 5.779885 0.000000\n0.000000 0.000000 11.667544\nNb Fe S\n8 2 16\ndirect\n0.000000 0.000000 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.493468 0.986937 0.750000 Nb\n0.013064 0.506533 0.750000 Nb\n0.493468 0.506533 0.750000 Nb\n0.506533 0.013064 0.250000 Nb\n0.986937 0.493468 0.250000 Nb\n0.506533 0.493468 0.250000 Nb\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.835356 0.670711 0.614409 S\n0.164645 0.835356 0.385590 S\n0.670711 0.835356 0.385590 S\n0.164645 0.329290 0.385590 S\n0.164645 0.835356 0.114410 S\n0.670711 0.835356 0.114410 S\n0.164645 0.329290 0.114410 S\n0.666667 0.333334 0.389453 S\n0.329290 0.164645 0.885590 S\n0.835356 0.670711 0.885590 S\n0.333334 0.666667 0.610547 S\n0.329290 0.164645 0.614409 S\n0.666667 0.333334 0.110547 S\n0.333334 0.666667 0.889452 S\n0.835356 0.164645 0.885590 S\n0.835356 0.164645 0.614409 S\n",
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"structure_string": "Fe4 H8 O4 F10\n1.0\n6.452450 0.022608 -3.608854\n-1.645408 5.568043 -4.576896\n-0.008392 -0.022608 7.393096\nFe H O F\n4 8 4 10\ndirect\n0.500000 0.500000 -0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.520232 0.794989 0.487718 H\n0.692728 0.205010 0.725243 H\n0.979768 0.467486 0.274758 H\n0.807272 0.532514 0.512282 H\n0.192728 0.467486 0.487718 H\n0.020232 0.532513 0.725242 H\n0.307271 0.794989 0.274758 H\n0.479768 0.205010 0.512282 H\n0.441127 0.744469 0.303342 O\n0.941128 0.637785 0.696658 O\n0.558872 0.255530 0.696658 O\n0.058872 0.362215 0.303343 O\n0.178392 0.341181 0.760000 F\n0.581182 0.341182 0.162790 F\n0.821608 0.658818 0.240000 F\n0.678392 0.918392 0.837210 F\n0.918818 0.081608 0.760001 F\n0.750000 0.095712 0.345713 F\n0.250000 0.904287 0.654288 F\n0.081182 0.918392 0.240000 F\n0.321608 0.081608 0.162790 F\n0.418818 0.658818 0.837210 F\n",
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