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{
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{
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"structure_string": "Ba2 Nd2 Fe4 O11\n1.0\n4.043068 -7.916409 0.000000\n4.043068 7.916409 0.000000\n0.000000 0.000000 3.961579\nBa Nd Fe O\n2 2 4 11\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.731936 0.731936 0.500000 Nd\n0.268064 0.268064 0.500000 Nd\n0.125531 0.874469 0.000000 Fe\n0.874469 0.125531 0.000000 Fe\n0.377218 0.622782 0.000000 Fe\n0.622782 0.377218 0.000000 Fe\n0.864125 0.655648 0.000000 O\n0.344352 0.135875 0.000000 O\n0.135875 0.344352 0.000000 O\n0.655648 0.864125 0.000000 O\n0.091336 0.908664 0.500000 O\n0.908664 0.091336 0.500000 O\n0.381516 0.618484 0.500000 O\n0.618484 0.381516 0.500000 O\n0.247580 0.752420 0.000000 O\n0.752420 0.247580 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Ba2 Nd2 Fe4 O10\n1.0\n4.039285 0.000000 0.000000\n0.000000 7.822884 0.000000\n0.000000 0.000000 8.027436\nBa Nd Fe O\n2 2 4 10\ndirect\n0.000000 0.003312 0.002684 Ba\n0.000000 0.996688 0.502684 Ba\n0.000000 0.498328 0.002569 Nd\n0.000000 0.501672 0.502569 Nd\n0.500000 0.256304 0.254663 Fe\n0.500000 0.272555 0.751615 Fe\n0.500000 0.727445 0.251615 Fe\n0.500000 0.743696 0.754663 Fe\n0.000000 0.693957 0.753635 O\n0.500000 0.305890 0.009803 O\n0.000000 0.691857 0.252754 O\n0.000000 0.308143 0.752754 O\n0.500000 0.011927 0.255614 O\n0.000000 0.306043 0.253635 O\n0.500000 0.686192 0.997464 O\n0.500000 0.694110 0.509803 O\n0.500000 0.988073 0.755614 O\n0.500000 0.313808 0.497464 O\n",
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{
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{
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{
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"structure_string": "Ba2 Nd2 Cu2 Te6\n1.0\n2.249689 -7.526723 0.000000\n2.249689 7.526723 0.000000\n0.000000 0.000000 11.723087\nBa Nd Cu Te\n2 2 2 6\ndirect\n0.252281 0.747719 0.250000 Ba\n0.747719 0.252281 0.750000 Ba\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.534272 0.465728 0.250000 Cu\n0.465728 0.534272 0.750000 Cu\n0.639500 0.360500 0.067218 Te\n0.360500 0.639500 0.932782 Te\n0.360500 0.639500 0.567218 Te\n0.639500 0.360500 0.432782 Te\n0.929796 0.070204 0.250000 Te\n0.070204 0.929796 0.750000 Te\n",
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"formula_full": "Ba2 Nd2 Cu2 Te6",
"formula_reduced": "BaNdCuTe3",
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"spacegroup": 63
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{
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"structure_string": "Ba2 Nd2 Cu2 B2 O10\n1.0\n5.554927 0.000000 0.000000\n0.000000 5.554927 0.000000\n0.000000 0.000000 7.657962\nBa Nd Cu B O\n2 2 2 2 10\ndirect\n0.500000 0.500000 0.512411 Ba\n0.000000 0.000000 0.512411 Ba\n0.500000 0.500000 0.004752 Nd\n0.000000 0.000000 0.004752 Nd\n0.000000 0.500000 0.783983 Cu\n0.500000 0.000000 0.783983 Cu\n0.500000 0.000000 0.263876 B\n0.000000 0.500000 0.263876 B\n0.344847 0.155153 0.176127 O\n0.155153 0.655153 0.176127 O\n0.000000 0.500000 0.446071 O\n0.500000 0.000000 0.446071 O\n0.844847 0.344847 0.176127 O\n0.655153 0.844847 0.176127 O\n0.252416 0.752416 0.799026 O\n0.247584 0.252416 0.799026 O\n0.752416 0.747584 0.799026 O\n0.747584 0.247584 0.799026 O\n",
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}
]
}