CXY LATTICE,NONEQUIV.ATOMS   6   63 Cmcm    
MODE OF CALC=RELA unit=bohr
 21.102572 14.416721 14.651047 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
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  -2: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
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=0.22530000 Y=0.19750000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -3: X=0.77470000 Y=0.80250000 Z=0.75000000
      -3: X=0.77470000 Y=0.19750000 Z=0.25000000
      -3: X=0.22530000 Y=0.80250000 Z=0.75000000
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  -4: X=0.12900000 Y=0.18000000 Z=0.03600000
          MULT= 8          ISPLIT=15
      -4: X=0.87100000 Y=0.82000000 Z=0.96400000
      -4: X=0.12900000 Y=0.18000000 Z=0.46400000
      -4: X=0.87100000 Y=0.82000000 Z=0.53600000
      -4: X=0.87100000 Y=0.18000000 Z=0.03600000
      -4: X=0.12900000 Y=0.82000000 Z=0.96400000
      -4: X=0.87100000 Y=0.18000000 Z=0.46400000
      -4: X=0.12900000 Y=0.82000000 Z=0.53600000
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=0.13900000 Y=0.47200000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -5: X=0.86100000 Y=0.52800000 Z=0.75000000
      -5: X=0.86100000 Y=0.47200000 Z=0.25000000
      -5: X=0.13900000 Y=0.52800000 Z=0.75000000
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  -6: X=0.00000000 Y=0.05100000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -6: X=0.00000000 Y=0.94900000 Z=0.75000000
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