R LATTICE,NONEQUIV.ATOMS 4 167 R-3c MODE OF CALC=RELA unit=bohr 14.324124 14.324124 76.369502 90.000000 90.000000120.000000 ATOM -1: X=0.13610000 Y=0.25690000 Z=0.71530000 MULT=12 ISPLIT= 8 -1: X=0.86390000 Y=0.74310000 Z=0.28470000 -1: X=0.25690000 Y=0.71530000 Z=0.13610000 -1: X=0.74310000 Y=0.28470000 Z=0.86390000 -1: X=0.63610000 Y=0.21530000 Z=0.75690000 -1: X=0.36390000 Y=0.78470000 Z=0.24310000 -1: X=0.71530000 Y=0.13610000 Z=0.25690000 -1: X=0.28470000 Y=0.86390000 Z=0.74310000 -1: X=0.21530000 Y=0.75690000 Z=0.63610000 -1: X=0.78470000 Y=0.24310000 Z=0.36390000 -1: X=0.75690000 Y=0.63610000 Z=0.21530000 -1: X=0.24310000 Y=0.36390000 Z=0.78470000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.45760000 Y=0.04240000 Z=0.25000000 MULT= 6 ISPLIT= 8 -2: X=0.54240000 Y=0.95760000 Z=0.75000000 -2: X=0.04240000 Y=0.25000000 Z=0.45760000 -2: X=0.95760000 Y=0.75000000 Z=0.54240000 -2: X=0.25000000 Y=0.45760000 Z=0.04240000 -2: X=0.75000000 Y=0.54240000 Z=0.95760000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.19461000 Y=0.19461000 Z=0.19461000 MULT= 4 ISPLIT= 4 -3: X=0.80539000 Y=0.80539000 Z=0.80539000 -3: X=0.69461000 Y=0.69461000 Z=0.69461000 -3: X=0.30539000 Y=0.30539000 Z=0.30539000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 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 -4: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 4 -4: X=0.50000000 Y=0.50000000 Z=0.50000000 N NPT= 781 R0=.000100000 RMT= 2.38 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000