P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma    
MODE OF CALC=RELA unit=bohr
 10.818682 15.890707 16.478412 90.000000 90.000000 90.000000
ATOM  -1: X=0.43300000 Y=0.25000000 Z=0.56400000
          MULT= 4          ISPLIT=15
      -1: X=0.56700000 Y=0.75000000 Z=0.43600000
      -1: X=0.93300000 Y=0.25000000 Z=0.93600000
      -1: X=0.06700000 Y=0.75000000 Z=0.06400000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.17000000 Y=0.06500000 Z=0.12400000
          MULT= 8          ISPLIT=15
      -2: X=0.83000000 Y=0.93500000 Z=0.87600000
      -2: X=0.67000000 Y=0.06500000 Z=0.37600000
      -2: X=0.33000000 Y=0.93500000 Z=0.62400000
      -2: X=0.33000000 Y=0.56500000 Z=0.62400000
      -2: X=0.67000000 Y=0.43500000 Z=0.37600000
      -2: X=0.83000000 Y=0.56500000 Z=0.87600000
      -2: X=0.17000000 Y=0.43500000 Z=0.12400000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.13000000 Y=0.25000000 Z=0.79200000
          MULT= 4          ISPLIT=15
      -3: X=0.87000000 Y=0.75000000 Z=0.20800000
      -3: X=0.63000000 Y=0.25000000 Z=0.70800000
      -3: X=0.37000000 Y=0.75000000 Z=0.29200000
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  -4: X=0.22100000 Y=0.25000000 Z=0.40700000
          MULT= 4          ISPLIT=15
      -4: X=0.77900000 Y=0.75000000 Z=0.59300000
      -4: X=0.72100000 Y=0.25000000 Z=0.09300000
      -4: X=0.27900000 Y=0.75000000 Z=0.90700000
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