B   LATTICE,NONEQUIV.ATOMS   5  141 I41/amd 
MODE OF CALC=RELA unit=bohr
 13.041567 13.041567 37.748035 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.18820000
          MULT= 4          ISPLIT=15
      -1: X=0.00000000 Y=0.75000000 Z=0.81180000
      -1: X=0.00000000 Y=0.75000000 Z=0.43820000
      -1: X=0.50000000 Y=0.75000000 Z=0.06180000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.25000000 Y=0.75000000 Z=0.25000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
      -2: X=0.25000000 Y=0.25000000 Z=0.75000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.05240000 Z=0.09270000
          MULT= 8          ISPLIT=15
      -3: X=0.00000000 Y=0.94760000 Z=0.90730000
      -3: X=0.19760000 Y=0.75000000 Z=0.34270000
      -3: X=0.30240000 Y=0.75000000 Z=0.15730000
      -3: X=0.00000000 Y=0.44760000 Z=0.09270000
      -3: X=0.00000000 Y=0.55240000 Z=0.90730000
      -3: X=0.30240000 Y=0.25000000 Z=0.84270000
      -3: X=0.19760000 Y=0.25000000 Z=0.65730000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
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=0.54960000 Z=0.23550000
          MULT= 8          ISPLIT=15
      -4: X=0.00000000 Y=0.45040000 Z=0.76450000
      -4: X=0.70040000 Y=0.75000000 Z=0.48550000
      -4: X=0.79960000 Y=0.75000000 Z=0.01450000
      -4: X=0.00000000 Y=0.95040000 Z=0.23550000
      -4: X=0.00000000 Y=0.04960000 Z=0.76450000
      -4: X=0.79960000 Y=0.25000000 Z=0.98550000
      -4: X=0.70040000 Y=0.25000000 Z=0.51450000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.01000000 Z=0.43400000
          MULT= 8          ISPLIT=15
      -5: X=0.00000000 Y=0.99000000 Z=0.56600000
      -5: X=0.24000000 Y=0.75000000 Z=0.68400000
      -5: X=0.26000000 Y=0.75000000 Z=0.81600000
      -5: X=0.00000000 Y=0.49000000 Z=0.43400000
      -5: X=0.00000000 Y=0.51000000 Z=0.56600000
      -5: X=0.26000000 Y=0.25000000 Z=0.18400000
      -5: X=0.24000000 Y=0.25000000 Z=0.31600000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000