R LATTICE,NONEQUIV.ATOMS 5 167 R-3c MODE OF CALC=RELA unit=bohr 18.890081 18.890081 96.071787 90.000000 90.000000120.000000 ATOM -1: X=0.43630000 Y=0.06370000 Z=0.25000000 MULT= 6 ISPLIT= 8 -1: X=0.56370000 Y=0.93630000 Z=0.75000000 -1: X=0.06370000 Y=0.25000000 Z=0.43630000 -1: X=0.93630000 Y=0.75000000 Z=0.56370000 -1: X=0.25000000 Y=0.43630000 Z=0.06370000 -1: X=0.75000000 Y=0.56370000 Z=0.93630000 Ga NPT= 781 R0=.000050000 RMT= 2.48 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 -2: X=0.20594000 Y=0.20594000 Z=0.20594000 MULT= 4 ISPLIT= 4 -2: X=0.79406000 Y=0.79406000 Z=0.79406000 -2: X=0.70594000 Y=0.70594000 Z=0.70594000 -2: X=0.29406000 Y=0.29406000 Z=0.29406000 Ga NPT= 781 R0=.000050000 RMT= 2.48 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 -3: X=0.47499000 Y=0.22655000 Z=0.96716000 MULT=12 ISPLIT= 8 -3: X=0.52501000 Y=0.77345000 Z=0.03284000 -3: X=0.22655000 Y=0.96716000 Z=0.47499000 -3: X=0.77345000 Y=0.03284000 Z=0.52501000 -3: X=0.97499000 Y=0.46716000 Z=0.72655000 -3: X=0.02501000 Y=0.53284000 Z=0.27345000 -3: X=0.96716000 Y=0.47499000 Z=0.22655000 -3: X=0.03284000 Y=0.52501000 Z=0.77345000 -3: X=0.46716000 Y=0.72655000 Z=0.97499000 -3: X=0.53284000 Y=0.27345000 Z=0.02501000 -3: X=0.72655000 Y=0.97499000 Z=0.46716000 -3: X=0.27345000 Y=0.02501000 Z=0.53284000 Ga NPT= 781 R0=.000050000 RMT= 2.48 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=0.40268000 Y=0.18704000 Z=0.84213000 MULT=12 ISPLIT= 8 -4: X=0.59732000 Y=0.81296000 Z=0.15787000 -4: X=0.18704000 Y=0.84213000 Z=0.40268000 -4: X=0.81296000 Y=0.15787000 Z=0.59732000 -4: X=0.90268000 Y=0.34213000 Z=0.68704000 -4: X=0.09732000 Y=0.65787000 Z=0.31296000 -4: X=0.84213000 Y=0.40268000 Z=0.18704000 -4: X=0.15787000 Y=0.59732000 Z=0.81296000 -4: X=0.34213000 Y=0.68704000 Z=0.90268000 -4: X=0.65787000 Y=0.31296000 Z=0.09732000 -4: X=0.68704000 Y=0.90268000 Z=0.34213000 -4: X=0.31296000 Y=0.09732000 Z=0.65787000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.07780000 Y=0.07780000 Z=0.07780000 MULT= 4 ISPLIT= 4 -5: X=0.92220000 Y=0.92220000 Z=0.92220000 -5: X=0.57780000 Y=0.57780000 Z=0.57780000 -5: X=0.42220000 Y=0.42220000 Z=0.42220000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000