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"structure_string": "Ba1 Ta1 Cl1\n1.0\n-0.000000 3.953138 3.953138\n3.953138 -0.000000 3.953138\n3.953138 3.953138 0.000000\nBa Ta Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Cl\n",
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"structure_string": "Be1 Fe1 Bi4\n1.0\n0.000000 4.520041 4.520041\n4.520041 0.000000 4.520041\n4.520041 4.520041 0.000000\nBe Fe Bi\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Fe\n0.123803 0.625398 0.625398 Bi\n0.625398 0.625398 0.625398 Bi\n0.625398 0.123803 0.625398 Bi\n0.625398 0.625398 0.123803 Bi\n",
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"structure_string": "Mg1 Mn1 As1\n1.0\n0.000000 3.116169 3.116169\n3.116169 0.000000 3.116169\n3.116169 3.116169 0.000000\nMg Mn As\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 As\n",
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{
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{
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