P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.137807 11.096472 18.517426 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.07899000 Y=0.25000000 Z=0.57895000
          MULT= 4          ISPLIT= 8
      -1: X=0.92101000 Y=0.75000000 Z=0.42105000
      -1: X=0.57899000 Y=0.25000000 Z=0.92105000
      -1: X=0.42101000 Y=0.75000000 Z=0.07895000
Pb         NPT=  781  R0=.000005000 RMT= 2.32        Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.28734000 Y=0.25000000 Z=0.86806000
          MULT= 4          ISPLIT= 8
      -2: X=0.71266000 Y=0.75000000 Z=0.13194000
      -2: X=0.78734000 Y=0.25000000 Z=0.63194000
      -2: X=0.21266000 Y=0.75000000 Z=0.36806000
Pb         NPT=  781  R0=.000005000 RMT= 2.32        Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.05801000 Y=0.25000000 Z=0.21197000
          MULT= 4          ISPLIT= 8
      -3: X=0.94199000 Y=0.75000000 Z=0.78803000
      -3: X=0.55801000 Y=0.25000000 Z=0.28803000
      -3: X=0.44199000 Y=0.75000000 Z=0.71197000
Pb         NPT=  781  R0=.000005000 RMT= 2.32        Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.31060000 Y=0.25000000 Z=0.19600000
          MULT= 4          ISPLIT= 8
      -4: X=0.68940000 Y=0.75000000 Z=0.80400000
      -4: X=0.81060000 Y=0.25000000 Z=0.30400000
      -4: X=0.18940000 Y=0.75000000 Z=0.69600000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.37090000 Y=0.25000000 Z=0.57520000
          MULT= 4          ISPLIT= 8
      -5: X=0.62910000 Y=0.75000000 Z=0.42480000
      -5: X=0.87090000 Y=0.25000000 Z=0.92480000
      -5: X=0.12910000 Y=0.75000000 Z=0.07520000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.07780000 Y=0.00600000 Z=0.39080000
          MULT= 8          ISPLIT= 8
      -6: X=0.92220000 Y=0.99400000 Z=0.60920000
      -6: X=0.57780000 Y=0.00600000 Z=0.10920000
      -6: X=0.42220000 Y=0.99400000 Z=0.89080000
      -6: X=0.42220000 Y=0.50600000 Z=0.89080000
      -6: X=0.57780000 Y=0.49400000 Z=0.10920000
      -6: X=0.92220000 Y=0.50600000 Z=0.60920000
      -6: X=0.07780000 Y=0.49400000 Z=0.39080000
O          NPT=  781  R0=.000100000 RMT= 1.90        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000