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{
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},
{
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"structure_string": "Li12 Hf4 O14\n1.0\n2.998735 5.228296 0.000000\n-2.998735 5.228296 0.000000\n0.000000 1.828491 10.035336\nLi Hf O\n12 4 14\ndirect\n0.663729 0.922560 0.395213 Li\n0.922560 0.663729 0.895213 Li\n0.206442 0.918422 0.414799 Li\n0.664255 0.468495 0.396743 Li\n0.918422 0.206442 0.914799 Li\n0.468495 0.664255 0.896743 Li\n0.531505 0.335745 0.103257 Li\n0.081578 0.793558 0.085201 Li\n0.335745 0.531505 0.603257 Li\n0.793558 0.081578 0.585201 Li\n0.077440 0.336271 0.104787 Li\n0.336271 0.077440 0.604787 Li\n0.560712 0.806534 0.135252 Hf\n0.806534 0.560712 0.635252 Hf\n0.193466 0.439288 0.364748 Hf\n0.439288 0.193466 0.864748 Hf\n0.861677 0.638573 0.254525 O\n0.000429 0.267567 0.497754 O\n0.638573 0.861677 0.754525 O\n0.267567 0.000429 0.997754 O\n0.742721 0.501191 0.023534 O\n0.349874 0.650126 0.250000 O\n0.501191 0.742721 0.523534 O\n0.498809 0.257279 0.476466 O\n0.650126 0.349874 0.750000 O\n0.257279 0.498809 0.976466 O\n0.732433 0.999571 0.002246 O\n0.361427 0.138323 0.245475 O\n0.999571 0.732433 0.502246 O\n0.138323 0.361427 0.745475 O\n",
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{
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"structure_string": "Fe3 P1 H6 Pb1 S1 O14\n1.0\n6.075658 -3.692838 0.000000\n6.075658 3.692838 0.000000\n3.831118 0.000000 5.989424\nFe P H Pb S O\n3 1 6 1 1 14\ndirect\n0.007659 0.007659 0.498490 Fe\n0.498490 0.007659 0.007659 Fe\n0.007659 0.498490 0.007659 Fe\n0.314398 0.314398 0.314398 P\n0.693944 0.289532 0.693944 H\n0.693944 0.693944 0.289532 H\n0.289532 0.693944 0.693944 H\n0.313817 0.707183 0.313817 H\n0.313817 0.313817 0.707183 H\n0.707183 0.313817 0.313817 H\n0.998363 0.998363 0.998363 Pb\n0.692758 0.692758 0.692758 S\n0.606127 0.606127 0.606127 O\n0.404631 0.404631 0.404631 O\n0.832425 0.501569 0.832425 O\n0.832425 0.832425 0.501569 O\n0.501569 0.832425 0.832425 O\n0.167426 0.510964 0.167426 O\n0.167426 0.167426 0.510964 O\n0.510964 0.167426 0.167426 O\n0.745247 0.124119 0.745247 O\n0.745247 0.745247 0.124119 O\n0.124119 0.745247 0.745247 O\n0.260135 0.874862 0.260135 O\n0.260135 0.260135 0.874862 O\n0.874862 0.260135 0.260135 O\n",
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"formula_full": "Fe3 P1 H6 Pb1 S1 O14",
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{
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{
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{
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