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"structure_string": "Sr1 Ca1 S1\n1.0\n0.000000 3.772494 3.772494\n3.772494 -0.000000 3.772494\n3.772494 3.772494 -0.000000\nSr Ca S\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 S\n",
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