XYZ file ru-frac.xyz 8192 Ru Ruthenium 44 101.070000 0 1.460000 7.030000 44.000000 43.290000 43.290000 68.500000 90.000000 90.000000 120.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 TRUE TRUE 1 0.000000 0.000000 TRUE