P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.087239 12.468413 22.009640 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.49000000 Y=0.25000000 Z=0.70900000
          MULT= 4          ISPLIT= 8
      -1: X=0.51000000 Y=0.75000000 Z=0.29100000
      -1: X=0.99000000 Y=0.25000000 Z=0.79100000
      -1: X=0.01000000 Y=0.75000000 Z=0.20900000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.17100000 Y=0.25000000 Z=0.42000000
          MULT= 4          ISPLIT= 8
      -2: X=0.82900000 Y=0.75000000 Z=0.58000000
      -2: X=0.67100000 Y=0.25000000 Z=0.08000000
      -2: X=0.32900000 Y=0.75000000 Z=0.92000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.22600000 Y=0.25000000 Z=0.08200000
          MULT= 4          ISPLIT= 8
      -3: X=0.77400000 Y=0.75000000 Z=0.91800000
      -3: X=0.72600000 Y=0.25000000 Z=0.41800000
      -3: X=0.27400000 Y=0.75000000 Z=0.58200000
W          NPT=  781  R0=.000005000 RMT= 1.79        Z:  74.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.01800000 Y=0.25000000 Z=0.08200000
          MULT= 4          ISPLIT= 8
      -4: X=0.98200000 Y=0.75000000 Z=0.91800000
      -4: X=0.51800000 Y=0.25000000 Z=0.41800000
      -4: X=0.48200000 Y=0.75000000 Z=0.58200000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.79500000 Y=0.25000000 Z=0.56500000
          MULT= 4          ISPLIT= 8
      -5: X=0.20500000 Y=0.75000000 Z=0.43500000
      -5: X=0.29500000 Y=0.25000000 Z=0.93500000
      -5: X=0.70500000 Y=0.75000000 Z=0.06500000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.29900000 Y=0.02900000 Z=0.15000000
          MULT= 8          ISPLIT= 8
      -6: X=0.70100000 Y=0.97100000 Z=0.85000000
      -6: X=0.79900000 Y=0.02900000 Z=0.35000000
      -6: X=0.20100000 Y=0.97100000 Z=0.65000000
      -6: X=0.20100000 Y=0.52900000 Z=0.65000000
      -6: X=0.79900000 Y=0.47100000 Z=0.35000000
      -6: X=0.70100000 Y=0.52900000 Z=0.85000000
      -6: X=0.29900000 Y=0.47100000 Z=0.15000000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000