P   LATTICE,NONEQUIV.ATOMS   8   11 P21/m   
MODE OF CALC=RELA unit=bohr
 17.449731 16.627700 21.370913 90.000000 90.000000110.250000
ATOM  -1: X=0.36340000 Y=0.32799000 Z=0.13917000
          MULT= 4          ISPLIT=15
      -1: X=0.63660000 Y=0.67201000 Z=0.86083000
      -1: X=0.63660000 Y=0.67201000 Z=0.63917000
      -1: X=0.36340000 Y=0.32799000 Z=0.36083000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.13401000 Y=0.31955000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.86599000 Y=0.68045000 Z=0.75000000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.11091000 Y=0.32339000 Z=0.00950000
          MULT= 4          ISPLIT=15
      -3: X=0.88909000 Y=0.67661000 Z=0.99050000
      -3: X=0.88909000 Y=0.67661000 Z=0.50950000
      -3: X=0.11091000 Y=0.32339000 Z=0.49050000
I          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  53.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.63366000 Y=0.34714000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -4: X=0.36634000 Y=0.65286000 Z=0.75000000
I          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  53.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.30472000 Y=0.01980000 Z=0.08982000
          MULT= 4          ISPLIT=15
      -5: X=0.69528000 Y=0.98020000 Z=0.91018000
      -5: X=0.69528000 Y=0.98020000 Z=0.58982000
      -5: X=0.30472000 Y=0.01980000 Z=0.41018000
I          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  53.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.93232000 Y=0.03050000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -6: X=0.06768000 Y=0.96950000 Z=0.75000000
I          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  53.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.48280000 Y=0.65359000 Z=0.09145000
          MULT= 4          ISPLIT=15
      -7: X=0.51720000 Y=0.34641000 Z=0.90855000
      -7: X=0.51720000 Y=0.34641000 Z=0.59145000
      -7: X=0.48280000 Y=0.65359000 Z=0.40855000
I          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  53.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.10167000 Y=0.60110000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -8: X=0.89833000 Y=0.39890000 Z=0.75000000
I          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  53.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000