B   LATTICE,NONEQUIV.ATOMS   5  142 I41/acd 
MODE OF CALC=RELA unit=bohr
 20.767523 20.767523 36.911265 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.12500000
          MULT= 4          ISPLIT=15
      -1: X=0.00000000 Y=0.75000000 Z=0.87500000
      -1: X=0.00000000 Y=0.75000000 Z=0.37500000
      -1: X=0.50000000 Y=0.75000000 Z=0.12500000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
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=0.25000000 Z=0.37500000
          MULT= 4          ISPLIT=15
      -2: X=0.00000000 Y=0.75000000 Z=0.62500000
      -2: X=0.00000000 Y=0.25000000 Z=0.87500000
      -2: X=0.00000000 Y=0.75000000 Z=0.12500000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.03702000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT=15
      -3: X=0.96298000 Y=0.00000000 Z=0.75000000
      -3: X=0.25000000 Y=0.78702000 Z=0.50000000
      -3: X=0.25000000 Y=0.71298000 Z=0.00000000
      -3: X=0.96298000 Y=0.50000000 Z=0.25000000
      -3: X=0.03702000 Y=0.50000000 Z=0.75000000
      -3: X=0.25000000 Y=0.21298000 Z=0.00000000
      -3: X=0.25000000 Y=0.28702000 Z=0.50000000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25147000 Y=0.31937000 Z=0.08532000
          MULT=16          ISPLIT=15
      -4: X=0.74853000 Y=0.68063000 Z=0.91468000
      -4: X=0.93063000 Y=0.00147000 Z=0.33532000
      -4: X=0.56937000 Y=0.49853000 Z=0.16468000
      -4: X=0.74853000 Y=0.31937000 Z=0.58532000
      -4: X=0.25147000 Y=0.68063000 Z=0.41468000
      -4: X=0.74853000 Y=0.18063000 Z=0.08532000
      -4: X=0.25147000 Y=0.81937000 Z=0.91468000
      -4: X=0.93063000 Y=0.49853000 Z=0.83532000
      -4: X=0.56937000 Y=0.00147000 Z=0.66468000
      -4: X=0.56937000 Y=0.99853000 Z=0.83532000
      -4: X=0.93063000 Y=0.50147000 Z=0.66468000
      -4: X=0.25147000 Y=0.18063000 Z=0.58532000
      -4: X=0.74853000 Y=0.81937000 Z=0.41468000
      -4: X=0.56937000 Y=0.50147000 Z=0.33532000
      -4: X=0.93063000 Y=0.99853000 Z=0.16468000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.09465000 Y=0.11167000 Z=0.00164000
          MULT=16          ISPLIT=15
      -5: X=0.90535000 Y=0.88833000 Z=0.99836000
      -5: X=0.13833000 Y=0.84465000 Z=0.25164000
      -5: X=0.36167000 Y=0.65535000 Z=0.24836000
      -5: X=0.90535000 Y=0.11167000 Z=0.50164000
      -5: X=0.09465000 Y=0.88833000 Z=0.49836000
      -5: X=0.90535000 Y=0.38833000 Z=0.00164000
      -5: X=0.09465000 Y=0.61167000 Z=0.99836000
      -5: X=0.13833000 Y=0.65535000 Z=0.75164000
      -5: X=0.36167000 Y=0.84465000 Z=0.74836000
      -5: X=0.36167000 Y=0.15535000 Z=0.75164000
      -5: X=0.13833000 Y=0.34465000 Z=0.74836000
      -5: X=0.09465000 Y=0.38833000 Z=0.50164000
      -5: X=0.90535000 Y=0.61167000 Z=0.49836000
      -5: X=0.36167000 Y=0.34465000 Z=0.25164000
      -5: X=0.13833000 Y=0.15535000 Z=0.24836000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000