P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.714843 14.635929 13.668389 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.32200000 Y=0.00300000 Z=0.02500000
          MULT= 8          ISPLIT= 8
      -1: X=0.67800000 Y=0.99700000 Z=0.97500000
      -1: X=0.82200000 Y=0.00300000 Z=0.47500000
      -1: X=0.17800000 Y=0.99700000 Z=0.52500000
      -1: X=0.17800000 Y=0.50300000 Z=0.52500000
      -1: X=0.82200000 Y=0.49700000 Z=0.47500000
      -1: X=0.67800000 Y=0.50300000 Z=0.97500000
      -1: X=0.32200000 Y=0.49700000 Z=0.02500000
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  -2: X=0.00600000 Y=0.25000000 Z=0.07400000
          MULT= 4          ISPLIT= 8
      -2: X=0.99400000 Y=0.75000000 Z=0.92600000
      -2: X=0.50600000 Y=0.25000000 Z=0.42600000
      -2: X=0.49400000 Y=0.75000000 Z=0.57400000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.09800000 Y=0.52700000 Z=0.16300000
          MULT= 8          ISPLIT= 8
      -3: X=0.90200000 Y=0.47300000 Z=0.83700000
      -3: X=0.59800000 Y=0.52700000 Z=0.33700000
      -3: X=0.40200000 Y=0.47300000 Z=0.66300000
      -3: X=0.40200000 Y=0.02700000 Z=0.66300000
      -3: X=0.59800000 Y=0.97300000 Z=0.33700000
      -3: X=0.90200000 Y=0.02700000 Z=0.83700000
      -3: X=0.09800000 Y=0.97300000 Z=0.16300000
S          NPT=  781  R0=.000100000 RMT= 2.15        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.18200000 Y=0.25000000 Z=0.83300000
          MULT= 4          ISPLIT= 8
      -4: X=0.81800000 Y=0.75000000 Z=0.16700000
      -4: X=0.68200000 Y=0.25000000 Z=0.66700000
      -4: X=0.31800000 Y=0.75000000 Z=0.33300000
S          NPT=  781  R0=.000100000 RMT= 2.15        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00300000 Y=0.25000000 Z=0.44800000
          MULT= 4          ISPLIT= 8
      -5: X=0.99700000 Y=0.75000000 Z=0.55200000
      -5: X=0.50300000 Y=0.25000000 Z=0.05200000
      -5: X=0.49700000 Y=0.75000000 Z=0.94800000
S          NPT=  781  R0=.000100000 RMT= 2.15        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.29200000 Y=0.25000000 Z=0.31200000
          MULT= 4          ISPLIT= 8
      -6: X=0.70800000 Y=0.75000000 Z=0.68800000
      -6: X=0.79200000 Y=0.25000000 Z=0.18800000
      -6: X=0.20800000 Y=0.75000000 Z=0.81200000
S          NPT=  781  R0=.000100000 RMT= 2.15        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000