P   LATTICE,NONEQUIV.ATOMS   8   57 Pbcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.676996 45.752726 11.123684 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25170000 Y=0.62090000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.74830000 Y=0.37910000 Z=0.75000000
      -1: X=0.74830000 Y=0.12090000 Z=0.25000000
      -1: X=0.25170000 Y=0.87910000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.30270000 Y=0.21010000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.69730000 Y=0.78990000 Z=0.75000000
      -2: X=0.69730000 Y=0.71010000 Z=0.25000000
      -2: X=0.30270000 Y=0.28990000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.07560000 Y=0.36010000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.92440000 Y=0.63990000 Z=0.75000000
      -3: X=0.92440000 Y=0.86010000 Z=0.25000000
      -3: X=0.07560000 Y=0.13990000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.49990000 Y=0.45530000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.50010000 Y=0.54470000 Z=0.75000000
      -4: X=0.50010000 Y=0.95530000 Z=0.25000000
      -4: X=0.49990000 Y=0.04470000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.57260000 Y=0.32460000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.42740000 Y=0.67540000 Z=0.75000000
      -5: X=0.42740000 Y=0.82460000 Z=0.25000000
      -5: X=0.57260000 Y=0.17540000 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT= 2.50000     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  -6: X=0.24820000 Y=0.07620000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.75180000 Y=0.92380000 Z=0.75000000
      -6: X=0.75180000 Y=0.57620000 Z=0.25000000
      -6: X=0.24820000 Y=0.42380000 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT= 2.50000     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=0.82240000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -7: X=0.17760000 Y=0.75000000 Z=0.00000000
      -7: X=0.82240000 Y=0.25000000 Z=0.50000000
      -7: X=0.17760000 Y=0.75000000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -8: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -8: X=0.00000000 Y=0.00000000 Z=0.50000000
      -8: X=0.00000000 Y=0.50000000 Z=0.00000000
      -8: X=0.00000000 Y=0.50000000 Z=0.50000000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000