P   LATTICE,NONEQUIV.ATOMS   9   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.943835 13.483196 22.340342 90.000000 90.000000 96.320000                   
ATOM  -1: X=0.29340000 Y=0.09100000 Z=0.01490000
          MULT= 4          ISPLIT= 8
      -1: X=0.70660000 Y=0.90900000 Z=0.98510000
      -1: X=0.70660000 Y=0.90900000 Z=0.51490000
      -1: X=0.29340000 Y=0.09100000 Z=0.48510000
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=0.02500000 Y=0.07100000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.97500000 Y=0.92900000 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT= 2.09        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.16890000 Y=0.83560000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.83110000 Y=0.16440000 Z=0.75000000
I          NPT=  781  R0=.000010000 RMT= 2.43        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.83500000 Y=0.86720000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.16500000 Y=0.13280000 Z=0.75000000
I          NPT=  781  R0=.000010000 RMT= 2.43        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.04310000 Y=0.27280000 Z=0.07550000
          MULT= 4          ISPLIT= 8
      -5: X=0.95690000 Y=0.72720000 Z=0.92450000
      -5: X=0.95690000 Y=0.72720000 Z=0.57550000
      -5: X=0.04310000 Y=0.27280000 Z=0.42450000
I          NPT=  781  R0=.000010000 RMT= 2.43        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.55600000 Y=0.27900000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.44400000 Y=0.72100000 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT= 2.09        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.36170000 Y=0.40070000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.63830000 Y=0.59930000 Z=0.75000000
I          NPT=  781  R0=.000010000 RMT= 2.43        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.51200000 Y=0.92180000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.48800000 Y=0.07820000 Z=0.75000000
I          NPT=  781  R0=.000010000 RMT= 2.43        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.65890000 Y=0.38540000 Z=0.07170000
          MULT= 4          ISPLIT= 8
      -9: X=0.34110000 Y=0.61460000 Z=0.92830000
      -9: X=0.34110000 Y=0.61460000 Z=0.57170000
      -9: X=0.65890000 Y=0.38540000 Z=0.42830000
I          NPT=  781  R0=.000010000 RMT= 2.43        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000