P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.064227 20.616912 17.650042 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.04800000 Y=0.04500000 Z=0.30500000
          MULT= 8          ISPLIT= 8
      -1: X=0.95200000 Y=0.95500000 Z=0.69500000
      -1: X=0.54800000 Y=0.04500000 Z=0.19500000
      -1: X=0.45200000 Y=0.95500000 Z=0.80500000
      -1: X=0.45200000 Y=0.54500000 Z=0.80500000
      -1: X=0.54800000 Y=0.45500000 Z=0.19500000
      -1: X=0.95200000 Y=0.54500000 Z=0.69500000
      -1: X=0.04800000 Y=0.45500000 Z=0.30500000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.36200000 Y=0.25000000 Z=0.59100000
          MULT= 4          ISPLIT= 8
      -2: X=0.63800000 Y=0.75000000 Z=0.40900000
      -2: X=0.86200000 Y=0.25000000 Z=0.90900000
      -2: X=0.13800000 Y=0.75000000 Z=0.09100000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.25400000 Y=0.25000000 Z=0.02700000
          MULT= 4          ISPLIT= 8
      -3: X=0.74600000 Y=0.75000000 Z=0.97300000
      -3: X=0.75400000 Y=0.25000000 Z=0.47300000
      -3: X=0.24600000 Y=0.75000000 Z=0.52700000
P          NPT=  781  R0=.000100000 RMT= 1.68        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.34500000 Y=0.59500000 Z=0.46800000
          MULT= 8          ISPLIT= 8
      -4: X=0.65500000 Y=0.40500000 Z=0.53200000
      -4: X=0.84500000 Y=0.59500000 Z=0.03200000
      -4: X=0.15500000 Y=0.40500000 Z=0.96800000
      -4: X=0.15500000 Y=0.09500000 Z=0.96800000
      -4: X=0.84500000 Y=0.90500000 Z=0.03200000
      -4: X=0.65500000 Y=0.09500000 Z=0.53200000
      -4: X=0.34500000 Y=0.90500000 Z=0.46800000
Se         NPT=  781  R0=.000050000 RMT= 2.06        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.31800000 Y=0.25000000 Z=0.23400000
          MULT= 4          ISPLIT= 8
      -5: X=0.68200000 Y=0.75000000 Z=0.76600000
      -5: X=0.81800000 Y=0.25000000 Z=0.26600000
      -5: X=0.18200000 Y=0.75000000 Z=0.73400000
Se         NPT=  781  R0=.000050000 RMT= 2.06        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.02000000 Y=0.25000000 Z=0.59200000
          MULT= 4          ISPLIT= 8
      -6: X=0.98000000 Y=0.75000000 Z=0.40800000
      -6: X=0.52000000 Y=0.25000000 Z=0.90800000
      -6: X=0.48000000 Y=0.75000000 Z=0.09200000
Se         NPT=  781  R0=.000050000 RMT= 2.06        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000