H LATTICE,NONEQUIV.ATOMS 3 186 P63mc MODE OF CALC=RELA unit=bohr 8.626600 8.626600 13.980194 90.000000 90.000000120.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.02290000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.00000000 Z=0.52290000 Lu NPT= 781 R0=.000010000 RMT= 2.00000 Z: 71.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.33333333 Y=0.66666667 Z=0.18460000 MULT= 2 ISPLIT=15 -2: X=0.66666666 Y=0.33333333 Z=0.68460000 Au NPT= 781 R0=.000005000 RMT= 2.00000 Z: 79.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.33333333 Y=0.66666667 Z=0.79250000 MULT= 2 ISPLIT=15 -3: X=0.66666666 Y=0.33333333 Z=0.29250000 Sn NPT= 781 R0=.000010000 RMT= 2.00000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000