P   LATTICE,NONEQUIV.ATOMS   5  224 Pn-3m   
MODE OF CALC=RELA unit=bohr
 17.666294 17.666294 17.666294 90.000000 90.000000 90.000000
ATOM  -1: X=0.38500000 Y=0.38500000 Z=0.38500000
          MULT= 8          ISPLIT=15
      -1: X=0.61500000 Y=0.61500000 Z=0.61500000
      -1: X=0.61500000 Y=0.88500000 Z=0.88500000
      -1: X=0.38500000 Y=0.11500000 Z=0.11500000
      -1: X=0.11500000 Y=0.11500000 Z=0.38500000
      -1: X=0.88500000 Y=0.88500000 Z=0.61500000
      -1: X=0.88500000 Y=0.61500000 Z=0.88500000
      -1: X=0.11500000 Y=0.38500000 Z=0.11500000
Pb         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  82.00000
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=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50000000 Y=0.25000000 Z=0.75000000
          MULT=12          ISPLIT=15
      -3: X=0.50000000 Y=0.75000000 Z=0.25000000
      -3: X=0.75000000 Y=0.00000000 Z=0.25000000
      -3: X=0.25000000 Y=0.00000000 Z=0.75000000
      -3: X=0.75000000 Y=0.50000000 Z=0.25000000
      -3: X=0.25000000 Y=0.50000000 Z=0.75000000
      -3: X=0.00000000 Y=0.25000000 Z=0.75000000
      -3: X=0.00000000 Y=0.75000000 Z=0.25000000
      -3: X=0.25000000 Y=0.75000000 Z=0.00000000
      -3: X=0.75000000 Y=0.25000000 Z=0.00000000
      -3: X=0.25000000 Y=0.75000000 Z=0.50000000
      -3: X=0.75000000 Y=0.25000000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT=   2.00000   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  -4: X=0.13300000 Y=0.13300000 Z=0.13300000
          MULT= 8          ISPLIT=15
      -4: X=0.86700000 Y=0.86700000 Z=0.86700000
      -4: X=0.86700000 Y=0.63300000 Z=0.63300000
      -4: X=0.13300000 Y=0.36700000 Z=0.36700000
      -4: X=0.36700000 Y=0.36700000 Z=0.13300000
      -4: X=0.63300000 Y=0.63300000 Z=0.86700000
      -4: X=0.63300000 Y=0.86700000 Z=0.63300000
      -4: X=0.36700000 Y=0.13300000 Z=0.36700000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.09700000 Y=0.09700000 Z=0.77700000
          MULT=24          ISPLIT=15
      -5: X=0.90300000 Y=0.90300000 Z=0.22300000
      -5: X=0.90300000 Y=0.59700000 Z=0.27700000
      -5: X=0.09700000 Y=0.40300000 Z=0.72300000
      -5: X=0.77700000 Y=0.09700000 Z=0.09700000
      -5: X=0.22300000 Y=0.90300000 Z=0.90300000
      -5: X=0.40300000 Y=0.40300000 Z=0.77700000
      -5: X=0.59700000 Y=0.59700000 Z=0.22300000
      -5: X=0.90300000 Y=0.27700000 Z=0.59700000
      -5: X=0.09700000 Y=0.72300000 Z=0.40300000
      -5: X=0.59700000 Y=0.90300000 Z=0.27700000
      -5: X=0.40300000 Y=0.09700000 Z=0.72300000
      -5: X=0.72300000 Y=0.40300000 Z=0.09700000
      -5: X=0.27700000 Y=0.59700000 Z=0.90300000
      -5: X=0.59700000 Y=0.22300000 Z=0.59700000
      -5: X=0.40300000 Y=0.77700000 Z=0.40300000
      -5: X=0.77700000 Y=0.40300000 Z=0.40300000
      -5: X=0.22300000 Y=0.59700000 Z=0.59700000
      -5: X=0.59700000 Y=0.27700000 Z=0.90300000
      -5: X=0.40300000 Y=0.72300000 Z=0.09700000
      -5: X=0.72300000 Y=0.09700000 Z=0.40300000
      -5: X=0.27700000 Y=0.90300000 Z=0.59700000
      -5: X=0.90300000 Y=0.22300000 Z=0.90300000
      -5: X=0.09700000 Y=0.77700000 Z=0.09700000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000