P   LATTICE,NONEQUIV.ATOMS   7  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 21.549114 21.549114  6.696434 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.20720000 Y=0.07950000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -1: X=0.79280000 Y=0.92050000 Z=0.00000000
      -1: X=0.92050000 Y=0.20720000 Z=0.00000000
      -1: X=0.07950000 Y=0.79280000 Z=0.00000000
      -1: X=0.29280000 Y=0.57950000 Z=0.00000000
      -1: X=0.70720000 Y=0.42050000 Z=0.00000000
      -1: X=0.42050000 Y=0.29280000 Z=0.00000000
      -1: X=0.57950000 Y=0.70720000 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  -2: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.00000000
Al         NPT=  781  R0=.000100000 RMT= 1.60        Z:  13.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.06670000 Y=0.14150000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -3: X=0.93330000 Y=0.85850000 Z=0.00000000
      -3: X=0.85850000 Y=0.06670000 Z=0.00000000
      -3: X=0.14150000 Y=0.93330000 Z=0.00000000
      -3: X=0.43330000 Y=0.64150000 Z=0.00000000
      -3: X=0.56670000 Y=0.35850000 Z=0.00000000
      -3: X=0.35850000 Y=0.43330000 Z=0.00000000
      -3: X=0.64150000 Y=0.56670000 Z=0.00000000
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=0.00490000 Y=0.34320000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -4: X=0.99510000 Y=0.65680000 Z=0.00000000
      -4: X=0.65680000 Y=0.00490000 Z=0.00000000
      -4: X=0.34320000 Y=0.99510000 Z=0.00000000
      -4: X=0.49510000 Y=0.84320000 Z=0.00000000
      -4: X=0.50490000 Y=0.15680000 Z=0.00000000
      -4: X=0.15680000 Y=0.49510000 Z=0.00000000
      -4: X=0.84320000 Y=0.50490000 Z=0.00000000
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  -5: X=0.20500000 Y=0.07360000 Z=0.50000000
          MULT= 8          ISPLIT= 8
      -5: X=0.79500000 Y=0.92640000 Z=0.50000000
      -5: X=0.92640000 Y=0.20500000 Z=0.50000000
      -5: X=0.07360000 Y=0.79500000 Z=0.50000000
      -5: X=0.29500000 Y=0.57360000 Z=0.50000000
      -5: X=0.70500000 Y=0.42640000 Z=0.50000000
      -5: X=0.42640000 Y=0.29500000 Z=0.50000000
      -5: X=0.57360000 Y=0.70500000 Z=0.50000000
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  -6: X=0.21620000 Y=0.71620000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.78380000 Y=0.28380000 Z=0.00000000
      -6: X=0.28380000 Y=0.21620000 Z=0.00000000
      -6: X=0.71620000 Y=0.78380000 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
ATOM  -7: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -7: X=0.50000000 Y=0.00000000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 1.69        Z:   9.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000