H LATTICE,NONEQUIV.ATOMS 2 176 P63/m MODE OF CALC=RELA unit=bohr 15.051291 15.051291 8.526255 90.000000 90.000000120.000000 ATOM -1: X=0.33333333 Y=0.66666667 Z=0.25000000 MULT= 2 ISPLIT=15 -1: X=0.66666667 Y=0.33333333 Z=0.75000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.38506000 Y=0.08628000 Z=0.25000000 MULT= 6 ISPLIT=15 -2: X=0.61494000 Y=0.91372000 Z=0.75000000 -2: X=0.29878000 Y=0.38506000 Z=0.75000000 -2: X=0.70122000 Y=0.61494000 Z=0.25000000 -2: X=0.91372000 Y=0.29878000 Z=0.25000000 -2: X=0.08628000 Y=0.70122000 Z=0.75000000 Br NPT= 781 R0=.000050000 RMT= 2.00000 Z: 35.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000