CXY LATTICE,NONEQUIV.ATOMS   6   63 Cmcm    
MODE OF CALC=RELA unit=bohr
 20.522426 14.550891 14.815453 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
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=0.22900000 Y=0.29400000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -2: X=0.77100000 Y=0.70600000 Z=0.75000000
      -2: X=0.77100000 Y=0.29400000 Z=0.25000000
      -2: X=0.22900000 Y=0.70600000 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  -3: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.50000000 Z=0.50000000
Ta         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  73.00000
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=0.43400000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -4: X=0.00000000 Y=0.56600000 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  -5: X=0.37700000 Y=0.18400000 Z=0.03300000
          MULT= 8          ISPLIT=15
      -5: X=0.62300000 Y=0.81600000 Z=0.96700000
      -5: X=0.37700000 Y=0.18400000 Z=0.46700000
      -5: X=0.62300000 Y=0.81600000 Z=0.53300000
      -5: X=0.62300000 Y=0.18400000 Z=0.03300000
      -5: X=0.37700000 Y=0.81600000 Z=0.96700000
      -5: X=0.62300000 Y=0.18400000 Z=0.46700000
      -5: X=0.37700000 Y=0.81600000 Z=0.53300000
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=0.13600000 Y=0.02400000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -6: X=0.86400000 Y=0.97600000 Z=0.75000000
      -6: X=0.86400000 Y=0.02400000 Z=0.25000000
      -6: X=0.13600000 Y=0.97600000 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