P   LATTICE,NONEQUIV.ATOMS   6   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 24.870686 11.302452 14.129482 90.000000 90.000000 90.480000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 2.32        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.11900000 Y=0.38000000 Z=0.28600000
          MULT= 4          ISPLIT= 8
      -2: X=0.88100000 Y=0.62000000 Z=0.71400000
      -2: X=0.38100000 Y=0.12000000 Z=0.78600000
      -2: X=0.61900000 Y=0.88000000 Z=0.21400000
Al         NPT=  781  R0=.000100000 RMT= 2.04        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=0.43000000 Y=0.25300000 Z=0.24600000
          MULT= 4          ISPLIT= 8
      -3: X=0.57000000 Y=0.74700000 Z=0.75400000
      -3: X=0.07000000 Y=0.24700000 Z=0.74600000
      -3: X=0.93000000 Y=0.75300000 Z=0.25400000
Cl         NPT=  781  R0=.000100000 RMT= 1.71        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=0.14400000 Y=0.26600000 Z=0.01400000
          MULT= 4          ISPLIT= 8
      -4: X=0.85600000 Y=0.73400000 Z=0.98600000
      -4: X=0.35600000 Y=0.23400000 Z=0.51400000
      -4: X=0.64400000 Y=0.76600000 Z=0.48600000
Cl         NPT=  781  R0=.000100000 RMT= 1.71        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=0.18000000 Y=0.24500000 Z=0.54300000
          MULT= 4          ISPLIT= 8
      -5: X=0.82000000 Y=0.75500000 Z=0.45700000
      -5: X=0.32000000 Y=0.25500000 Z=0.04300000
      -5: X=0.68000000 Y=0.74500000 Z=0.95700000
Cl         NPT=  781  R0=.000100000 RMT= 1.71        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=0.06600000 Y=0.74700000 Z=0.21000000
          MULT= 4          ISPLIT= 8
      -6: X=0.93400000 Y=0.25300000 Z=0.79000000
      -6: X=0.43400000 Y=0.75300000 Z=0.71000000
      -6: X=0.56600000 Y=0.24700000 Z=0.29000000
Cl         NPT=  781  R0=.000100000 RMT= 1.71        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000