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"structure_string": "Cu4 P4 S12\n1.0\n5.232447 -0.000000 0.000000\n0.000000 5.232447 0.000000\n-0.000000 -0.000000 15.149568\nCu P S\n4 4 12\ndirect\n-0.000000 0.500000 0.250000 Cu\n0.500000 0.000000 0.750000 Cu\n-0.000000 0.500000 0.750000 Cu\n0.500000 0.000000 0.250000 Cu\n0.500000 0.500000 0.405171 P\n0.000000 0.000000 0.905171 P\n0.500000 0.500000 0.594830 P\n0.000000 0.000000 0.094829 P\n0.258676 0.258676 0.660247 S\n0.741324 0.741324 0.660247 S\n0.758677 0.241324 0.839753 S\n0.241324 0.758677 0.839753 S\n0.741324 0.741324 0.339753 S\n0.715202 0.284799 0.500000 S\n0.784799 0.784799 -0.000000 S\n0.215202 0.215202 -0.000000 S\n0.758677 0.241324 0.160247 S\n0.284799 0.715202 0.500000 S\n0.258676 0.258676 0.339753 S\n0.241324 0.758677 0.160247 S\n",
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{
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"structure_string": "Tl2 H8 N2 Cl8\n1.0\n6.462371 0.000000 -2.637082\n-1.076106 6.372145 -2.637081\n0.013103 0.015501 9.268920\nTl H N Cl\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.249999 0.749999 0.500000 Tl\n0.698988 0.371813 0.575328 H\n0.453515 0.448989 0.075328 H\n0.621813 0.626339 0.075328 H\n0.373660 0.546484 0.924672 H\n0.551010 0.378186 0.924672 H\n0.796484 0.301011 0.424672 H\n0.628186 0.123661 0.424672 H\n0.876339 0.203515 0.575328 H\n0.500000 0.500000 -0.000000 N\n0.749999 0.250000 0.500000 N\n0.501407 0.596866 0.681610 Cl\n0.748592 0.153133 0.818389 Cl\n0.069796 0.665256 0.818389 Cl\n0.915256 0.498592 0.318389 Cl\n0.846866 0.930202 0.181610 Cl\n0.334743 0.251407 0.181611 Cl\n0.180203 0.084743 0.681611 Cl\n0.403133 0.819796 0.318389 Cl\n",
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"structure_string": "Zn4 Ag2 Sb2 O12\n1.0\n0.000000 5.458489 -0.020605\n7.723585 0.000000 0.000000\n0.000000 -0.707754 -5.497285\nZn Ag Sb O\n4 2 2 12\ndirect\n0.542906 0.250000 0.511712 Zn\n0.457095 0.750000 0.488290 Zn\n0.016042 0.250000 0.058805 Zn\n0.983959 0.750000 0.941196 Zn\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.343241 0.437030 0.659773 O\n0.891547 0.250000 0.399327 O\n0.656760 0.937031 0.340228 O\n0.603660 0.750000 0.874101 O\n0.800489 0.074110 0.878689 O\n0.199512 0.925890 0.121313 O\n0.800489 0.425890 0.878689 O\n0.343241 0.062970 0.659773 O\n0.396342 0.250000 0.125901 O\n0.656760 0.562970 0.340228 O\n0.199512 0.574111 0.121313 O\n0.108454 0.750000 0.600675 O\n",
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"structure_string": "Ca4 Sn4 S12\n1.0\n3.840883 0.000000 0.000000\n-0.000000 8.171350 0.000000\n0.000000 0.000000 13.818321\nCa Sn S\n4 4 12\ndirect\n0.250000 0.925645 0.318917 Ca\n0.250000 0.425645 0.181083 Ca\n0.749999 0.074355 0.681083 Ca\n0.749999 0.574355 0.818917 Ca\n0.749999 0.322116 0.441477 Sn\n0.749999 0.822116 0.058523 Sn\n0.250000 0.677884 0.558523 Sn\n0.250000 0.177884 0.941477 Sn\n0.749999 0.693356 0.221001 S\n0.749999 0.193356 0.278999 S\n0.749999 0.357694 0.008820 S\n0.749999 0.857694 0.491180 S\n0.250000 0.642306 0.991180 S\n0.250000 0.023024 0.110283 S\n0.749999 0.976976 0.889717 S\n0.749999 0.476976 0.610283 S\n0.250000 0.806644 0.721001 S\n0.250000 0.523024 0.389717 S\n0.250000 0.142306 0.508820 S\n0.250000 0.306644 0.778999 S\n",
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