P   LATTICE,NONEQUIV.ATOMS  11   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 28.900905 17.443117  7.722555 90.000000 90.000000 92.468000                   
ATOM  -1: X=0.94509000 Y=0.65990000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.05491000 Y=0.34010000 Z=0.75000000
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
ATOM  -2: X=0.56328000 Y=0.13080000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.43672000 Y=0.86920000 Z=0.75000000
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
ATOM  -3: X=0.15157000 Y=0.04719000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.84843000 Y=0.95281000 Z=0.75000000
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
ATOM  -4: X=0.20852000 Y=0.76882000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.79148000 Y=0.23118000 Z=0.75000000
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
ATOM  -5: X=0.35440000 Y=0.39470000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.64560000 Y=0.60530000 Z=0.75000000
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
ATOM  -6: X=0.10333000 Y=0.53290000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.89667000 Y=0.46710000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.40        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  -7: X=0.99689000 Y=0.16250000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00311000 Y=0.83750000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.40        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  -8: X=0.69639000 Y=0.32010000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.30361000 Y=0.67990000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.40        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  -9: X=0.39601000 Y=0.04140000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.60399000 Y=0.95860000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.40        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 -10: X=0.79021000 Y=0.78920000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -10: X=0.20979000 Y=0.21080000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.40        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 -11: X=0.49730000 Y=0.67330000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -11: X=0.50270000 Y=0.32670000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000