P   LATTICE,NONEQUIV.ATOMS   3  127 P4/mbm  
MODE OF CALC=RELA unit=bohr
 12.596725 12.596725  7.058316 90.000000 90.000000 90.000000
ATOM  -1: X=0.19629000 Y=0.69629000 Z=0.50000000
          MULT= 4          ISPLIT=15
      -1: X=0.80371000 Y=0.30371000 Z=0.50000000
      -1: X=0.30371000 Y=0.19629000 Z=0.50000000
      -1: X=0.69629000 Y=0.80371000 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  -2: X=0.58363000 Y=0.08363000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.41637000 Y=0.91637000 Z=0.00000000
      -2: X=0.91637000 Y=0.58363000 Z=0.00000000
      -2: X=0.08363000 Y=0.41637000 Z=0.00000000
C          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   6.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.03187000 Y=0.18129000 Z=0.00000000
          MULT= 8          ISPLIT=15
      -3: X=0.96813000 Y=0.81871000 Z=0.00000000
      -3: X=0.81871000 Y=0.03187000 Z=0.00000000
      -3: X=0.18129000 Y=0.96813000 Z=0.00000000
      -3: X=0.46813000 Y=0.68129000 Z=0.00000000
      -3: X=0.53187000 Y=0.31871000 Z=0.00000000
      -3: X=0.31871000 Y=0.46813000 Z=0.00000000
      -3: X=0.68129000 Y=0.53187000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   5.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000