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"structure_string": "Na2 Sm4 Ir2 O12\n1.0\n0.000000 5.466014 -0.002690\n5.945628 0.000000 0.000000\n0.000000 -5.287833 -7.865945\nNa Sm Ir O\n2 4 2 12\ndirect\n-0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.778233 0.078657 0.253505 Sm\n0.221766 0.578658 0.246495 Sm\n0.778233 0.421343 0.753504 Sm\n0.221766 0.921343 0.746495 Sm\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.142837 0.825620 0.444194 O\n0.857162 0.325620 0.055806 O\n0.605931 0.448668 0.234580 O\n0.394068 0.948668 0.265420 O\n0.394068 0.551332 0.765419 O\n0.270333 0.213242 0.930140 O\n0.729667 0.786758 0.069859 O\n0.270333 0.286758 0.430141 O\n0.142837 0.674380 0.944194 O\n0.729667 0.713242 0.569859 O\n0.605931 0.051332 0.734580 O\n0.857162 0.174380 0.555805 O\n",
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{
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"structure_string": "Ni4 Se4 O12\n1.0\n4.985961 0.000000 0.000000\n0.000000 5.899569 0.000000\n0.000000 0.000000 7.518077\nNi Se O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.980326 0.015695 0.250000 Se\n0.480326 0.484305 0.750000 Se\n0.519673 0.515695 0.250000 Se\n0.019673 0.984305 0.750000 Se\n0.826903 0.426992 0.750000 O\n0.326904 0.073008 0.250000 O\n0.859447 0.183368 0.072696 O\n0.359447 0.316632 0.927305 O\n0.640552 0.683368 0.427304 O\n0.359447 0.316632 0.572696 O\n0.140553 0.816633 0.927305 O\n0.640552 0.683368 0.072696 O\n0.673096 0.926992 0.750000 O\n0.859447 0.183368 0.427304 O\n0.140553 0.816633 0.572696 O\n0.173096 0.573008 0.250000 O\n",
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"structure_string": "Ca4 Ag2 Sb2 O12\n1.0\n0.000000 5.745107 0.077445\n7.648530 0.000000 0.000000\n0.000000 -1.309733 -5.964794\nCa Ag Sb O\n4 2 2 12\ndirect\n0.469271 0.750000 0.421357 Ca\n0.530729 0.250000 0.578642 Ca\n0.953893 0.750000 0.955090 Ca\n0.046108 0.250000 0.044909 Ca\n0.500000 0.500000 -0.000000 Ag\n0.500000 0.000000 -0.000000 Ag\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.346452 0.542471 0.669550 O\n0.598219 0.750000 0.073081 O\n0.653548 0.042471 0.330449 O\n0.096606 0.250000 0.441117 O\n0.121886 0.945620 0.231682 O\n0.878115 0.054380 0.768316 O\n0.121886 0.554380 0.231682 O\n0.346452 0.957529 0.669550 O\n0.903395 0.750000 0.558881 O\n0.653548 0.457529 0.330449 O\n0.878115 0.445620 0.768316 O\n0.401781 0.250000 0.926918 O\n",
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"structure_string": "As8 Se4 S8\n1.0\n9.502182 0.000000 0.000000\n-0.000000 4.258737 1.163697\n-0.000000 0.408257 12.101764\nAs Se S\n8 4 8\ndirect\n0.368860 0.443257 0.275433 As\n0.131140 0.443257 0.775433 As\n0.631139 0.556745 0.724567 As\n0.868860 0.556744 0.224567 As\n0.172995 0.798347 0.013825 As\n0.327005 0.798347 0.513825 As\n0.827005 0.201654 -0.013825 As\n0.672995 0.201654 0.486175 As\n0.583381 0.685590 0.336835 Se\n0.916619 0.685590 0.836835 Se\n0.416619 0.314412 0.663164 Se\n0.083381 0.314412 0.163165 Se\n0.200972 0.563330 0.398647 S\n0.299028 0.563330 0.898647 S\n0.799027 0.436672 0.601353 S\n0.700972 0.436671 0.101353 S\n0.371620 0.878946 0.114723 S\n0.128380 0.878946 0.614723 S\n0.628380 0.121055 0.885277 S\n0.871620 0.121055 0.385277 S\n",
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}