B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a   
MODE OF CALC=RELA unit=bohr
 10.206978 10.206978 22.033640 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.62500000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.75000000 Z=0.37500000
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=0.12500000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.75000000 Z=0.87500000
Nb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  41.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.24470000 Y=0.08500000 Z=0.03849000
          MULT= 8          ISPLIT=15
      -3: X=0.75530000 Y=0.91500000 Z=0.96151000
      -3: X=0.16500000 Y=0.99470000 Z=0.78849000
      -3: X=0.33500000 Y=0.50530000 Z=0.71151000
      -3: X=0.75530000 Y=0.41500000 Z=0.03849000
      -3: X=0.24470000 Y=0.58500000 Z=0.96151000
      -3: X=0.33500000 Y=0.00530000 Z=0.28849000
      -3: X=0.16500000 Y=0.49470000 Z=0.21151000
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