H LATTICE,NONEQUIV.ATOMS 3 186 P63mc MODE OF CALC=RELA unit=bohr 8.220309 8.220309 24.832891 90.000000 90.000000120.000000 ATOM -1: X=0.33333333 Y=0.66666667 Z=0.79820000 MULT= 2 ISPLIT= 4 -1: X=0.66666666 Y=0.33333333 Z=0.29820000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 4 -2: X=0.00000000 Y=0.00000000 Z=0.50000000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 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=0.10770000 MULT= 2 ISPLIT= 4 -3: X=0.66666666 Y=0.33333333 Z=0.60770000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000