P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 24.029758 13.037221 23.889918 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.04190000 Y=0.25000000 Z=0.80280000
          MULT= 4          ISPLIT= 8
      -1: X=0.95810000 Y=0.75000000 Z=0.19720000
      -1: X=0.54190000 Y=0.25000000 Z=0.69720000
      -1: X=0.45810000 Y=0.75000000 Z=0.30280000
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  -2: X=0.24940000 Y=0.25000000 Z=0.16130000
          MULT= 4          ISPLIT= 8
      -2: X=0.75060000 Y=0.75000000 Z=0.83870000
      -2: X=0.74940000 Y=0.25000000 Z=0.33870000
      -2: X=0.25060000 Y=0.75000000 Z=0.66130000
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  -3: X=0.23530000 Y=0.25000000 Z=0.46390000
          MULT= 4          ISPLIT= 8
      -3: X=0.76470000 Y=0.75000000 Z=0.53610000
      -3: X=0.73530000 Y=0.25000000 Z=0.03610000
      -3: X=0.26470000 Y=0.75000000 Z=0.96390000
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  -4: X=0.39780000 Y=0.25000000 Z=0.31640000
          MULT= 4          ISPLIT= 8
      -4: X=0.60220000 Y=0.75000000 Z=0.68360000
      -4: X=0.89780000 Y=0.25000000 Z=0.18360000
      -4: X=0.10220000 Y=0.75000000 Z=0.81640000
Cl         NPT=  781  R0=.000100000 RMT= 2.38        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.17280000 Y=0.00800000 Z=0.31050000
          MULT= 8          ISPLIT= 8
      -5: X=0.82720000 Y=0.99200000 Z=0.68950000
      -5: X=0.67280000 Y=0.00800000 Z=0.18950000
      -5: X=0.32720000 Y=0.99200000 Z=0.81050000
      -5: X=0.32720000 Y=0.50800000 Z=0.81050000
      -5: X=0.67280000 Y=0.49200000 Z=0.18950000
      -5: X=0.82720000 Y=0.50800000 Z=0.68950000
      -5: X=0.17280000 Y=0.49200000 Z=0.31050000
Cl         NPT=  781  R0=.000100000 RMT= 2.38        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.11710000 Y=0.01200000 Z=0.58320000
          MULT= 8          ISPLIT= 8
      -6: X=0.88290000 Y=0.98800000 Z=0.41680000
      -6: X=0.61710000 Y=0.01200000 Z=0.91680000
      -6: X=0.38290000 Y=0.98800000 Z=0.08320000
      -6: X=0.38290000 Y=0.51200000 Z=0.08320000
      -6: X=0.61710000 Y=0.48800000 Z=0.91680000
      -6: X=0.88290000 Y=0.51200000 Z=0.41680000
      -6: X=0.11710000 Y=0.48800000 Z=0.58320000
Cl         NPT=  781  R0=.000100000 RMT= 2.38        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.12780000 Y=0.00800000 Z=0.04480000
          MULT= 8          ISPLIT= 8
      -7: X=0.87220000 Y=0.99200000 Z=0.95520000
      -7: X=0.62780000 Y=0.00800000 Z=0.45520000
      -7: X=0.37220000 Y=0.99200000 Z=0.54480000
      -7: X=0.37220000 Y=0.50800000 Z=0.54480000
      -7: X=0.62780000 Y=0.49200000 Z=0.45520000
      -7: X=0.87220000 Y=0.50800000 Z=0.95520000
      -7: X=0.12780000 Y=0.49200000 Z=0.04480000
Cl         NPT=  781  R0=.000100000 RMT= 2.38        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000