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{
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{
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{
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"structure_string": "Ba8 As8 Se20\n1.0\n12.627872 0.000000 0.000000\n0.000000 9.595481 0.000000\n0.000000 4.693270 9.137177\nBa As Se\n8 8 20\ndirect\n0.068751 0.823684 0.346095 Ba\n0.568751 0.176316 0.653905 Ba\n0.065504 0.329601 0.356095 Ba\n0.565504 0.670399 0.643905 Ba\n0.219296 0.583627 0.839949 Ba\n0.719296 0.416373 0.160051 Ba\n0.226767 0.076151 0.859178 Ba\n0.726767 0.923849 0.140822 Ba\n0.376374 0.234434 0.248394 As\n0.489274 0.219053 0.991998 As\n0.989274 0.780947 0.008002 As\n0.876374 0.765566 0.751606 As\n0.918389 0.397163 0.737183 As\n0.418389 0.602837 0.262817 As\n0.301476 0.964136 0.512525 As\n0.801476 0.035864 0.487475 As\n0.834757 0.661501 0.571537 Se\n0.334757 0.338499 0.428463 Se\n0.446918 0.506244 0.074996 Se\n0.946918 0.493756 0.925004 Se\n0.619930 0.048614 0.394584 Se\n0.168410 0.701522 0.100564 Se\n0.119930 0.951386 0.605416 Se\n0.668410 0.298478 0.899436 Se\n0.895601 0.628183 0.236855 Se\n0.395601 0.371817 0.763145 Se\n0.395688 0.884696 0.739201 Se\n0.895688 0.115304 0.260799 Se\n0.209118 0.215983 0.140414 Se\n0.709118 0.784017 0.859586 Se\n0.593535 0.564111 0.367527 Se\n0.093535 0.435889 0.632473 Se\n0.815441 0.264883 0.523221 Se\n0.315441 0.735117 0.476779 Se\n0.480072 0.958695 0.013352 Se\n0.980072 0.041305 0.986648 Se\n",
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{
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{
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"formula_full": "Ta3 Mn1 N4",
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]
}