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"structure_string": "Ba1 Ca2 Sn1\n1.0\n4.248662 0.000000 0.000000\n0.000000 4.248662 -0.000000\n0.000000 -0.000000 8.596681\nBa Ca Sn\n1 2 1\ndirect\n0.500000 0.500000 0.704606 Ba\n0.000000 0.000000 0.045948 Ca\n0.500000 0.500000 0.297091 Ca\n0.000000 0.000000 0.452355 Sn\n",
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"structure_string": "Ba4 Ca1 Sn1\n1.0\n0.000000 5.160848 5.160848\n5.160848 0.000000 5.160848\n5.160848 5.160848 0.000000\nBa Ca Sn\n4 1 1\ndirect\n0.119196 0.626935 0.626935 Ba\n0.626935 0.626935 0.626935 Ba\n0.626935 0.119196 0.626935 Ba\n0.626935 0.626935 0.119196 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Sn\n",
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"structure_string": "Ba1 Ca1 Se1\n1.0\n0.000000 3.991685 3.991685\n3.991685 0.000000 3.991685\n3.991685 3.991685 0.000000\nBa Ca Se\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.499999 Se\n",
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"structure_string": "Ba1 Ca1 Sc1\n1.0\n-0.000000 3.978201 3.978201\n3.978201 0.000000 3.978201\n3.978201 3.978201 -0.000000\nBa Ca Sc\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Sc\n",
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