R LATTICE,NONEQUIV.ATOMS 2 167 R-3c MODE OF CALC=RELA unit=bohr 9.357923 9.357923 25.169260 90.000000 90.000000120.000000 ATOM -1: X=0.14500000 Y=0.14500000 Z=0.14500000 MULT= 4 ISPLIT= 4 -1: X=0.85500000 Y=0.85500000 Z=0.85500000 -1: X=0.64500000 Y=0.64500000 Z=0.64500000 -1: X=0.35500000 Y=0.35500000 Z=0.35500000 Ga NPT= 781 R0=.000050000 RMT= 1.89 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.55300000 Y=0.94700000 Z=0.25000000 MULT= 6 ISPLIT= 8 -2: X=0.44700000 Y=0.05300000 Z=0.75000000 -2: X=0.94700000 Y=0.25000000 Z=0.55300000 -2: X=0.05300000 Y=0.75000000 Z=0.44700000 -2: X=0.25000000 Y=0.55300000 Z=0.94700000 -2: X=0.75000000 Y=0.44700000 Z=0.05300000 O NPT= 781 R0=.000100000 RMT= 1.71 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000