P   LATTICE,NONEQUIV.ATOMS  10   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 21.663631 12.103318 18.472829 90.000000 90.000000104.003000                   
ATOM  -1: X=0.16624000 Y=0.44415000 Z=0.08042000
          MULT= 4          ISPLIT= 8
      -1: X=0.83376000 Y=0.55585000 Z=0.91958000
      -1: X=0.83376000 Y=0.55585000 Z=0.58042000
      -1: X=0.16624000 Y=0.44415000 Z=0.41958000
As         NPT=  781  R0=.000050000 RMT= 2.24        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.45063000 Y=0.46829000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.54937000 Y=0.53171000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 2.24        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.16961000 Y=0.17830000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.83039000 Y=0.82170000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.89        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=0.10204000 Y=0.62320000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.89796000 Y=0.37680000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.89        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  -5: X=0.36373000 Y=0.57740000 Z=0.06847000
          MULT= 4          ISPLIT= 8
      -5: X=0.63627000 Y=0.42260000 Z=0.93153000
      -5: X=0.63627000 Y=0.42260000 Z=0.56847000
      -5: X=0.36373000 Y=0.57740000 Z=0.43153000
S          NPT=  781  R0=.000100000 RMT= 1.89        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  -6: X=0.33535000 Y=0.12430000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.66465000 Y=0.87570000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.89        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  -7: X=0.77941000 Y=0.97830000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.22059000 Y=0.02170000 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT= 1.98        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  -8: X=0.87406000 Y=0.11880000 Z=0.07157000
          MULT= 4          ISPLIT= 8
      -8: X=0.12594000 Y=0.88120000 Z=0.92843000
      -8: X=0.12594000 Y=0.88120000 Z=0.57157000
      -8: X=0.87406000 Y=0.11880000 Z=0.42843000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        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  -9: X=0.77753000 Y=0.64540000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.22247000 Y=0.35460000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        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 -10: X=0.60220000 Y=0.01980000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -10: X=0.39780000 Y=0.98020000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000