R LATTICE,NONEQUIV.ATOMS 5 166 R-3m MODE OF CALC=RELA unit=bohr 17.171941 17.171941 32.163136 90.000000 90.000000120.000000 ATOM -1: X=0.90390000 Y=0.38341000 Z=0.90390000 MULT= 6 ISPLIT= 8 -1: X=0.09610000 Y=0.61659000 Z=0.09610000 -1: X=0.38341000 Y=0.90390000 Z=0.90390000 -1: X=0.61659000 Y=0.09610000 Z=0.09610000 -1: X=0.90390000 Y=0.90390000 Z=0.38341000 -1: X=0.09610000 Y=0.09610000 Z=0.61659000 Ga NPT= 781 R0=.000050000 RMT= 2.39 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000-0.5000000 0.8660254 0.0000000-0.8660254-0.5000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.72190000 Y=0.02489000 Z=0.72190000 MULT= 6 ISPLIT= 8 -2: X=0.27810000 Y=0.97511000 Z=0.27810000 -2: X=0.02489000 Y=0.72190000 Z=0.72190000 -2: X=0.97511000 Y=0.27810000 Z=0.27810000 -2: X=0.72190000 Y=0.72190000 Z=0.02489000 -2: X=0.27810000 Y=0.27810000 Z=0.97511000 Ga NPT= 781 R0=.000050000 RMT= 2.39 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000-0.5000000 0.8660254 0.0000000-0.8660254-0.5000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.67800000 Y=0.37501000 Z=0.67800000 MULT= 6 ISPLIT= 8 -3: X=0.32200000 Y=0.62499000 Z=0.32200000 -3: X=0.37501000 Y=0.67800000 Z=0.67800000 -3: X=0.62499000 Y=0.32200000 Z=0.32200000 -3: X=0.67800000 Y=0.67800000 Z=0.37501000 -3: X=0.32200000 Y=0.32200000 Z=0.62499000 Ga NPT= 781 R0=.000050000 RMT= 2.39 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000-0.5000000 0.8660254 0.0000000-0.8660254-0.5000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 4 Ga NPT= 781 R0=.000050000 RMT= 2.39 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 -5: X=0.50000000 Y=0.50000000 Z=0.00000000 MULT= 3 ISPLIT= 8 -5: X=0.50000000 Y=0.00000000 Z=0.50000000 -5: X=0.00000000 Y=0.50000000 Z=0.50000000 Ga NPT= 781 R0=.000050000 RMT= 2.39 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000