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"formula_full": "H64 C16 S16 N32 Cl16",
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{
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"structure_string": "Ce2 P2 N2 O8 F4\n1.0\n0.000000 -5.892630 0.000000\n-6.164323 0.000000 2.738057\n-0.097592 0.000000 -7.383979\nCe P N O F\n2 2 2 8 4\ndirect\n0.750000 0.881770 0.315644 Ce\n0.250000 0.118230 0.684356 Ce\n0.750000 0.269884 0.039554 P\n0.250000 0.730116 0.960446 P\n0.750000 0.561799 0.679927 N\n0.250000 0.438201 0.320073 N\n0.750000 0.498343 0.204878 O\n0.250000 0.501657 0.795122 O\n0.464254 0.761256 0.089587 O\n0.964254 0.238744 0.910413 O\n0.535746 0.238744 0.910413 O\n0.035746 0.761256 0.089587 O\n0.750000 0.100653 0.130617 O\n0.250000 0.899347 0.869383 O\n0.500746 0.834060 0.533573 F\n0.000746 0.165940 0.466427 F\n0.499254 0.165940 0.466427 F\n0.999254 0.834060 0.533573 F\n",
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{
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"structure_string": "Sr4 Li2 Si2 O8 F2\n1.0\n5.466433 0.000000 0.000000\n0.000000 6.638211 0.000000\n0.000000 2.653664 6.474675\nSr Li Si O F\n4 2 2 8 2\ndirect\n0.250000 0.841297 0.373513 Sr\n0.750000 0.635160 0.101621 Sr\n0.750000 0.158703 0.626487 Sr\n0.250000 0.364840 0.898379 Sr\n0.250000 0.851808 0.880763 Li\n0.750000 0.148192 0.119237 Li\n0.750000 0.654737 0.664717 Si\n0.250000 0.345263 0.335283 Si\n0.507055 0.776430 0.711282 O\n0.250000 0.337194 0.570882 O\n0.750000 0.404221 0.841617 O\n0.750000 0.662806 0.429118 O\n0.250000 0.595779 0.158383 O\n0.007055 0.223570 0.288718 O\n0.992945 0.776430 0.711282 O\n0.492945 0.223570 0.288718 O\n0.000000 0.000000 0.000000 F\n0.500000 0.000000 0.000000 F\n",
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{
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"structure_string": "Na16 Ca8 P8 O32 F8\n1.0\n7.169151 0.000000 0.000000\n0.000000 10.779832 0.000000\n0.000000 5.379691 12.329182\nNa Ca P O F\n16 8 8 32 8\ndirect\n0.746112 0.913099 0.910035 Na\n0.727256 0.823528 0.587604 Na\n0.018847 0.432182 0.330548 Na\n0.772744 0.323528 0.587604 Na\n0.518847 0.067818 0.669452 Na\n0.753888 0.413099 0.910035 Na\n0.246112 0.586901 0.089965 Na\n0.476584 0.790274 0.164031 Na\n0.523416 0.209726 0.835969 Na\n0.272744 0.176472 0.412396 Na\n0.481153 0.932182 0.330548 Na\n0.981153 0.567818 0.669452 Na\n0.227256 0.676472 0.412396 Na\n0.023416 0.290274 0.164031 Na\n0.976584 0.709726 0.835969 Na\n0.253888 0.086901 0.089965 Na\n0.987718 0.028890 0.669027 Ca\n0.506044 0.722888 0.827250 Ca\n0.993956 0.222888 0.827250 Ca\n0.512282 0.528890 0.669027 Ca\n0.006044 0.777112 0.172750 Ca\n0.493956 0.277112 0.172750 Ca\n0.012282 0.971110 0.330973 Ca\n0.487718 0.471110 0.330973 Ca\n0.740587 0.645299 0.413311 P\n0.240587 0.854701 0.586689 P\n0.256189 0.439322 0.915794 P\n0.243811 0.939322 0.915794 P\n0.759413 0.145299 0.413311 P\n0.756189 0.060678 0.084206 P\n0.743811 0.560678 0.084206 P\n0.259413 0.354701 0.586689 P\n0.731815 0.636241 0.531422 O\n0.550102 0.694451 0.354590 O\n0.449898 0.305549 0.645410 O\n0.077613 0.416397 0.859581 O\n0.050102 0.805549 0.645410 O\n0.231815 0.863759 0.468578 O\n0.577613 0.083603 0.140419 O\n0.932522 0.072304 0.147894 O\n0.949898 0.194451 0.354590 O\n0.400122 0.755091 0.649600 O\n0.067478 0.927696 0.852106 O\n0.768185 0.136241 0.531422 O\n0.224749 0.498465 0.586173 O\n0.567478 0.572304 0.147894 O\n0.767600 0.166684 0.964878 O\n0.775251 0.501535 0.413827 O\n0.599878 0.244909 0.350400 O\n0.422387 0.916397 0.859581 O\n0.724749 0.001535 0.413827 O\n0.922387 0.583603 0.140419 O\n0.900122 0.744909 0.350400 O\n0.232400 0.833316 0.035122 O\n0.099878 0.255091 0.649600 O\n0.248841 0.085080 0.915237 O\n0.432522 0.427696 0.852106 O\n0.268185 0.363759 0.468578 O\n0.267600 0.333316 0.035122 O\n0.275251 0.998465 0.586173 O\n0.732400 0.666684 0.964878 O\n0.748841 0.414920 0.084763 O\n0.251159 0.585080 0.915237 O\n0.751159 0.914920 0.084763 O\n0.769678 0.384240 0.736448 F\n0.273807 0.378471 0.241382 F\n0.726193 0.621529 0.758618 F\n0.230322 0.615760 0.263552 F\n0.730322 0.884240 0.736448 F\n0.773807 0.121529 0.758618 F\n0.269678 0.115760 0.263552 F\n0.226193 0.878471 0.241382 F\n",
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{
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"structure_string": "Li16 Ni8 P8 O32 F8\n1.0\n6.360224 0.000000 0.000000\n0.000000 10.545419 0.000000\n0.000000 0.000000 10.941106\nLi Ni P O F\n16 8 8 32 8\ndirect\n0.505589 0.239153 0.666087 Li\n0.494411 0.260847 0.166087 Li\n0.250000 0.727452 0.583091 Li\n0.494411 0.760847 0.333913 Li\n0.750000 0.526011 0.773266 Li\n0.005589 0.260847 0.166087 Li\n0.250000 0.227452 0.916909 Li\n0.250000 0.473989 0.226734 Li\n0.005589 0.760847 0.333913 Li\n0.750000 0.272548 0.416909 Li\n0.994411 0.239153 0.666087 Li\n0.994411 0.739153 0.833913 Li\n0.750000 0.772548 0.083091 Li\n0.505589 0.739153 0.833913 Li\n0.250000 0.973989 0.273266 Li\n0.750000 0.026011 0.726734 Li\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.250000 0.977282 0.743867 P\n0.750000 0.022718 0.256133 P\n0.750000 0.243433 0.921599 P\n0.750000 0.743433 0.578401 P\n0.250000 0.756567 0.078401 P\n0.750000 0.522718 0.243867 P\n0.250000 0.256567 0.421599 P\n0.250000 0.477282 0.756133 P\n0.750000 0.169726 0.256305 O\n0.750000 0.389351 0.945302 O\n0.250000 0.610649 0.054698 O\n0.950193 0.689878 0.514468 O\n0.750000 0.889351 0.554698 O\n0.549807 0.689878 0.514468 O\n0.947011 0.965849 0.319860 O\n0.052989 0.534151 0.819860 O\n0.450193 0.810122 0.014468 O\n0.552989 0.965849 0.319860 O\n0.250000 0.527607 0.621521 O\n0.250000 0.283279 0.283264 O\n0.250000 0.830274 0.743695 O\n0.947011 0.465849 0.180140 O\n0.250000 0.110649 0.445302 O\n0.250000 0.783279 0.216736 O\n0.552989 0.465849 0.180140 O\n0.750000 0.669726 0.243695 O\n0.549807 0.189878 0.985532 O\n0.950193 0.189878 0.985532 O\n0.750000 0.972393 0.121521 O\n0.447011 0.534151 0.819860 O\n0.049807 0.310122 0.485532 O\n0.049807 0.810122 0.014468 O\n0.750000 0.472393 0.378479 O\n0.750000 0.216721 0.783264 O\n0.450193 0.310122 0.485532 O\n0.250000 0.027607 0.878479 O\n0.447011 0.034151 0.680140 O\n0.052989 0.034151 0.680140 O\n0.750000 0.716721 0.716736 O\n0.250000 0.330274 0.756305 O\n0.750000 0.450269 0.616167 F\n0.750000 0.128316 0.527632 F\n0.250000 0.549731 0.383833 F\n0.250000 0.049731 0.116167 F\n0.750000 0.628316 0.972368 F\n0.750000 0.950269 0.883833 F\n0.250000 0.871684 0.472368 F\n0.250000 0.371684 0.027632 F\n",
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{
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