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{
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{
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{
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{
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{
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{
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{
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{
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{
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},
{
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"structure_string": "Na8 Sn2 S8\n1.0\n7.929371 0.000000 0.000000\n0.000000 7.929371 0.000000\n0.000000 0.000000 7.006016\nNa Sn S\n8 2 8\ndirect\n0.198201 0.406389 0.030883 Na\n0.593611 0.198201 0.969117 Na\n0.406389 0.801799 0.969117 Na\n0.801799 0.593611 0.030883 Na\n0.698201 0.093611 0.469117 Na\n0.301799 0.906389 0.469117 Na\n0.906389 0.698201 0.530883 Na\n0.093611 0.301799 0.530883 Na\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.260776 0.592481 0.689459 S\n0.739224 0.407519 0.689459 S\n0.092481 0.760776 0.189459 S\n0.239224 0.092481 0.810541 S\n0.760776 0.907519 0.810541 S\n0.907519 0.239224 0.189459 S\n0.592481 0.739224 0.310541 S\n0.407519 0.260776 0.310541 S\n",
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},
{
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"structure_string": "Rb1 Hf1 Mg30 O31\n1.0\n8.692338 0.000000 0.000000\n0.000000 8.699634 0.000000\n0.000000 0.000000 8.702560\nRb Hf Mg O\n1 1 30 31\ndirect\n0.000000 0.000000 0.000213 Rb\n0.500000 0.500000 0.000535 Hf\n0.500000 0.000000 0.003160 Mg\n0.000000 0.500000 0.000104 Mg\n0.000000 0.000000 0.499695 Mg\n0.500000 0.000000 0.498680 Mg\n0.000000 0.500000 0.499928 Mg\n0.500000 0.500000 0.499142 Mg\n0.754507 0.754540 0.999797 Mg\n0.245493 0.754540 0.999797 Mg\n0.754507 0.245460 0.999797 Mg\n0.245493 0.245460 0.999797 Mg\n0.751540 0.751708 0.500132 Mg\n0.248460 0.751708 0.500132 Mg\n0.751540 0.248292 0.500132 Mg\n0.248460 0.248292 0.500132 Mg\n0.750964 0.000000 0.745581 Mg\n0.249036 0.000000 0.745581 Mg\n0.757477 0.500000 0.743822 Mg\n0.242523 0.500000 0.743822 Mg\n0.749463 0.000000 0.254083 Mg\n0.250537 0.000000 0.254083 Mg\n0.757107 0.500000 0.256347 Mg\n0.242893 0.500000 0.256347 Mg\n0.000000 0.747999 0.746063 Mg\n0.500000 0.755332 0.743170 Mg\n0.000000 0.252001 0.746063 Mg\n0.500000 0.244668 0.743170 Mg\n0.000000 0.748685 0.254030 Mg\n0.500000 0.756305 0.256081 Mg\n0.000000 0.251315 0.254030 Mg\n0.500000 0.243695 0.256081 Mg\n0.000000 0.000000 0.721076 O\n0.000000 0.500000 0.745896 O\n0.500000 0.500000 0.755342 O\n0.000000 0.000000 0.278713 O\n0.500000 0.000000 0.253938 O\n0.000000 0.500000 0.254055 O\n0.500000 0.500000 0.245128 O\n0.750251 0.747971 0.751716 O\n0.249749 0.747971 0.751716 O\n0.750251 0.252029 0.751716 O\n0.249749 0.252029 0.751716 O\n0.748887 0.749297 0.248173 O\n0.251113 0.749297 0.248173 O\n0.748887 0.250703 0.248173 O\n0.251113 0.250703 0.248173 O\n0.720441 0.000000 0.999602 O\n0.279559 0.000000 0.999602 O\n0.740858 0.500000 0.999705 O\n0.259142 0.500000 0.999705 O\n0.744784 0.000000 0.499054 O\n0.255216 0.000000 0.499054 O\n0.746952 0.500000 0.500171 O\n0.253048 0.500000 0.500171 O\n0.000000 0.720449 0.999841 O\n0.500000 0.740495 0.001266 O\n0.000000 0.279551 0.999841 O\n0.500000 0.259505 0.001266 O\n0.000000 0.743926 0.500122 O\n0.500000 0.745748 0.498622 O\n0.000000 0.256074 0.500122 O\n0.500000 0.254252 0.498622 O\n",
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"formula_full": "Rb1 Hf1 Mg30 O31",
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"spacegroup": 25
}
]
}