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"structure_string": "Ti4 N2\n1.0\n3.819335 -0.000000 -1.625127\n-0.691492 3.756215 -1.625127\n0.005262 0.006319 5.312985\nTi N\n4 2\ndirect\n0.857118 0.607120 0.714237 Ti\n0.607118 0.857120 0.214237 Ti\n0.392881 0.142882 0.785761 Ti\n0.142881 0.392882 0.285761 Ti\n0.624999 0.375001 0.249999 N\n0.375000 0.625001 0.749999 N\n",
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"structure_string": "Mn8 O8 F8\n1.0\n4.597414 -0.004448 -0.000000\n-0.004448 4.597414 0.000000\n-0.000000 0.000000 12.406362\nMn O F\n8 8 8\ndirect\n0.968519 0.968519 0.000000 Mn\n0.024351 0.036651 0.250000 Mn\n0.968519 0.968519 0.500000 Mn\n0.036651 0.024351 0.750000 Mn\n0.469123 0.528588 0.625011 Mn\n0.528588 0.469123 0.125011 Mn\n0.528588 0.469123 0.374989 Mn\n0.469123 0.528588 0.874989 Mn\n0.821247 0.176427 0.375202 O\n0.821247 0.176427 0.124798 O\n0.676743 0.676743 0.500000 O\n0.676743 0.676743 0.000000 O\n0.299074 0.337209 0.750000 O\n0.337209 0.299074 0.250000 O\n0.176427 0.821247 0.875202 O\n0.176427 0.821247 0.624798 O\n0.226720 0.783782 0.132358 F\n0.226720 0.783782 0.367642 F\n0.275587 0.275587 0.000000 F\n0.275587 0.275587 0.500000 F\n0.745775 0.703454 0.250000 F\n0.703454 0.745775 0.750000 F\n0.783782 0.226720 0.632358 F\n0.783782 0.226720 0.867642 F\n",
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