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"structure_string": "K1 Ba1 Mo1\n1.0\n0.000000 3.991542 3.991542\n3.991542 -0.000000 3.991542\n3.991542 3.991542 -0.000000\nK Ba Mo\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mo\n",
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{
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"structure_string": "Mg1 As1 Ir2\n1.0\n0.000000 3.172085 3.172085\n3.172085 -0.000000 3.172085\n3.172085 3.172085 0.000000\nMg As Ir\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Mg\n0.499999 0.499999 0.499999 As\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Ir\n",
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