P   LATTICE,NONEQUIV.ATOMS  11   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 28.253295 16.868640  7.381648 90.000000 90.000000 93.476000                   
ATOM  -1: X=0.94550000 Y=0.65750000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.05450000 Y=0.34250000 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=0.56370000 Y=0.13440000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.43630000 Y=0.86560000 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=0.14350000 Y=0.04230000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.85650000 Y=0.95770000 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=0.20860000 Y=0.76400000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.79140000 Y=0.23600000 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=0.34250000 Y=0.38290000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.65750000 Y=0.61710000 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=0.49450000 Y=0.67320000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.50550000 Y=0.32680000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.41        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=0.10060000 Y=0.53300000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.89940000 Y=0.46700000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.12        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  -8: X=0.99760000 Y=0.16580000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.00240000 Y=0.83420000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.12        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  -9: X=0.70020000 Y=0.31820000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.29980000 Y=0.68180000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.12        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 -10: X=0.39760000 Y=0.03250000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -10: X=0.60240000 Y=0.96750000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.12        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 -11: X=0.79840000 Y=0.79170000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -11: X=0.20160000 Y=0.20830000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.12        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000