P   LATTICE,NONEQUIV.ATOMS  12    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.523430 13.573903 19.806220 90.000000 90.000000 93.100000                   
ATOM  -1: X=0.93360000 Y=0.00680000 Z=0.33520000
          MULT= 2          ISPLIT= 8
      -1: X=0.06640000 Y=0.99320000 Z=0.83520000
Al         NPT=  781  R0=.000100000 RMT= 1.99        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  -2: X=0.79770000 Y=0.02630000 Z=0.17370000
          MULT= 2          ISPLIT= 8
      -2: X=0.20230000 Y=0.97370000 Z=0.67370000
Cl         NPT=  781  R0=.000100000 RMT= 1.99        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  -3: X=0.18000000 Y=0.05530000 Z=0.00860000
          MULT= 2          ISPLIT= 8
      -3: X=0.82000000 Y=0.94470000 Z=0.50860000
Cl         NPT=  781  R0=.000100000 RMT= 1.99        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  -4: X=0.07820000 Y=0.78790000 Z=0.30860000
          MULT= 2          ISPLIT= 8
      -4: X=0.92180000 Y=0.21210000 Z=0.80860000
Cl         NPT=  781  R0=.000100000 RMT= 1.99        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  -5: X=0.05840000 Y=0.26560000 Z=0.34800000
          MULT= 2          ISPLIT= 8
      -5: X=0.94160000 Y=0.73440000 Z=0.84800000
Cl         NPT=  781  R0=.000100000 RMT= 1.99        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=0.56410000 Y=0.49180000 Z=0.44350000
          MULT= 2          ISPLIT= 8
      -6: X=0.43590000 Y=0.50820000 Z=0.94350000
Al         NPT=  781  R0=.000100000 RMT= 1.99        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=0.30040000 Y=0.53030000 Z=0.10720000
          MULT= 2          ISPLIT= 8
      -7: X=0.69960000 Y=0.46970000 Z=0.60720000
Cl         NPT=  781  R0=.000100000 RMT= 1.99        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  -8: X=0.68920000 Y=0.54090000 Z=0.27700000
          MULT= 2          ISPLIT= 8
      -8: X=0.31080000 Y=0.45910000 Z=0.77700000
Cl         NPT=  781  R0=.000100000 RMT= 1.99        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=0.42550000 Y=0.71490000 Z=0.46790000
          MULT= 2          ISPLIT= 8
      -9: X=0.57450000 Y=0.28510000 Z=0.96790000
Cl         NPT=  781  R0=.000100000 RMT= 1.99        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=0.44230000 Y=0.23410000 Z=0.42820000
          MULT= 2          ISPLIT= 8
     -10: X=0.55770000 Y=0.76590000 Z=0.92820000
Cl         NPT=  781  R0=.000100000 RMT= 1.99        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 -11: X=0.05480000 Y=0.55590000 Z=0.58220000
          MULT= 2          ISPLIT= 8
     -11: X=0.94520000 Y=0.44410000 Z=0.08220000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.55660000 Y=0.05280000 Z=0.69510000
          MULT= 2          ISPLIT= 8
     -12: X=0.44340000 Y=0.94720000 Z=0.19510000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000