P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.090564 19.517092 12.139601 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.05980000 Y=0.25000000 Z=0.64940000
          MULT= 4          ISPLIT= 8
      -1: X=0.94020000 Y=0.75000000 Z=0.35060000
      -1: X=0.55980000 Y=0.25000000 Z=0.85060000
      -1: X=0.44020000 Y=0.75000000 Z=0.14940000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.14410000 Y=0.00570000 Z=0.10950000
          MULT= 8          ISPLIT= 8
      -2: X=0.85590000 Y=0.99430000 Z=0.89050000
      -2: X=0.64410000 Y=0.00570000 Z=0.39050000
      -2: X=0.35590000 Y=0.99430000 Z=0.60950000
      -2: X=0.35590000 Y=0.50570000 Z=0.60950000
      -2: X=0.64410000 Y=0.49430000 Z=0.39050000
      -2: X=0.85590000 Y=0.50570000 Z=0.89050000
      -2: X=0.14410000 Y=0.49430000 Z=0.10950000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00480000 Y=0.25000000 Z=0.11650000
          MULT= 4          ISPLIT= 8
      -3: X=0.99520000 Y=0.75000000 Z=0.88350000
      -3: X=0.50480000 Y=0.25000000 Z=0.38350000
      -3: X=0.49520000 Y=0.75000000 Z=0.61650000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.24760000 Y=0.25000000 Z=0.34790000
          MULT= 4          ISPLIT= 8
      -4: X=0.75240000 Y=0.75000000 Z=0.65210000
      -4: X=0.74760000 Y=0.25000000 Z=0.15210000
      -4: X=0.25240000 Y=0.75000000 Z=0.84790000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.28600000 Y=0.25000000 Z=0.87450000
          MULT= 4          ISPLIT= 8
      -5: X=0.71400000 Y=0.75000000 Z=0.12550000
      -5: X=0.78600000 Y=0.25000000 Z=0.62550000
      -5: X=0.21400000 Y=0.75000000 Z=0.37450000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.40200000 Y=0.04600000 Z=0.12350000
          MULT= 8          ISPLIT= 8
      -6: X=0.59800000 Y=0.95400000 Z=0.87650000
      -6: X=0.90200000 Y=0.04600000 Z=0.37650000
      -6: X=0.09800000 Y=0.95400000 Z=0.62350000
      -6: X=0.09800000 Y=0.54600000 Z=0.62350000
      -6: X=0.90200000 Y=0.45400000 Z=0.37650000
      -6: X=0.59800000 Y=0.54600000 Z=0.87650000
      -6: X=0.40200000 Y=0.45400000 Z=0.12350000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000