P   LATTICE,NONEQUIV.ATOMS   3  105 P42mc                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.658055 10.658055 17.102022 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT= 2.10        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=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
P          NPT=  781  R0=.000100000 RMT= 1.93        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.20000000 Y=0.26000000 Z=0.12700000
          MULT= 8          ISPLIT= 8
      -3: X=0.74000000 Y=0.20000000 Z=0.62700000
      -3: X=0.80000000 Y=0.26000000 Z=0.12700000
      -3: X=0.80000000 Y=0.74000000 Z=0.12700000
      -3: X=0.74000000 Y=0.80000000 Z=0.62700000
      -3: X=0.26000000 Y=0.80000000 Z=0.62700000
      -3: X=0.20000000 Y=0.74000000 Z=0.12700000
      -3: X=0.26000000 Y=0.20000000 Z=0.62700000
S          NPT=  781  R0=.000100000 RMT= 1.99        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000