P   LATTICE,NONEQUIV.ATOMS   4  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
  9.530078  9.530078 11.634477 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
Al         NPT=  781  R0=.000100000 RMT= 1.60        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=0.00000000 Y=0.00000000 Z=0.28430000
          MULT= 4          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.71570000
      -3: X=0.50000000 Y=0.50000000 Z=0.28430000
      -3: X=0.50000000 Y=0.50000000 Z=0.71570000
F          NPT=  781  R0=.000100000 RMT= 1.69        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.20140000 Y=0.70140000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.79860000 Y=0.29860000 Z=0.00000000
      -4: X=0.29860000 Y=0.20140000 Z=0.00000000
      -4: X=0.70140000 Y=0.79860000 Z=0.00000000
F          NPT=  781  R0=.000100000 RMT= 1.69        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000