P   LATTICE,NONEQUIV.ATOMS   4  135 P42/mbc 
MODE OF CALC=RELA unit=bohr
 12.764344 12.764344 13.564643 90.000000 90.000000 90.000000
ATOM  -1: X=0.18700000 Y=0.68700000 Z=0.25000000
          MULT= 8          ISPLIT=15
      -1: X=0.81300000 Y=0.31300000 Z=0.75000000
      -1: X=0.31300000 Y=0.18700000 Z=0.75000000
      -1: X=0.68700000 Y=0.81300000 Z=0.25000000
      -1: X=0.31300000 Y=0.18700000 Z=0.25000000
      -1: X=0.68700000 Y=0.81300000 Z=0.75000000
      -1: X=0.81300000 Y=0.31300000 Z=0.25000000
      -1: X=0.18700000 Y=0.68700000 Z=0.75000000
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=0.09500000 Y=0.40500000 Z=0.00000000
          MULT= 8          ISPLIT=15
      -2: X=0.90500000 Y=0.59500000 Z=0.00000000
      -2: X=0.59500000 Y=0.09500000 Z=0.50000000
      -2: X=0.40500000 Y=0.90500000 Z=0.50000000
      -2: X=0.40500000 Y=0.90500000 Z=0.00000000
      -2: X=0.59500000 Y=0.09500000 Z=0.00000000
      -2: X=0.09500000 Y=0.40500000 Z=0.50000000
      -2: X=0.90500000 Y=0.59500000 Z=0.50000000
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
ATOM  -3: X=0.03500000 Y=0.14000000 Z=0.00000000
          MULT= 8          ISPLIT=15
      -3: X=0.96500000 Y=0.86000000 Z=0.00000000
      -3: X=0.86000000 Y=0.03500000 Z=0.50000000
      -3: X=0.14000000 Y=0.96500000 Z=0.50000000
      -3: X=0.46500000 Y=0.64000000 Z=0.00000000
      -3: X=0.53500000 Y=0.36000000 Z=0.00000000
      -3: X=0.36000000 Y=0.46500000 Z=0.50000000
      -3: X=0.64000000 Y=0.53500000 Z=0.50000000
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
ATOM  -4: X=0.32200000 Y=0.45600000 Z=0.00000000
          MULT= 8          ISPLIT=15
      -4: X=0.67800000 Y=0.54400000 Z=0.00000000
      -4: X=0.54400000 Y=0.32200000 Z=0.50000000
      -4: X=0.45600000 Y=0.67800000 Z=0.50000000
      -4: X=0.17800000 Y=0.95600000 Z=0.00000000
      -4: X=0.82200000 Y=0.04400000 Z=0.00000000
      -4: X=0.04400000 Y=0.17800000 Z=0.50000000
      -4: X=0.95600000 Y=0.82200000 Z=0.50000000
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