H   LATTICE,NONEQUIV.ATOMS   4  165 P-3c1   
MODE OF CALC=RELA unit=bohr
 13.606028 13.606028 13.938620 90.000000 90.000000120.000000
ATOM  -1: X=0.34029000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -1: X=0.65971000 Y=0.00000000 Z=0.75000000
      -1: X=0.00000000 Y=0.34029000 Z=0.25000000
      -1: X=0.00000000 Y=0.65971000 Z=0.75000000
      -1: X=0.65971000 Y=0.65971000 Z=0.25000000
      -1: X=0.34029000 Y=0.34029000 Z=0.75000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.36560000 Y=0.31210000 Z=0.08130000
          MULT=12          ISPLIT=15
      -2: X=0.63440000 Y=0.68790000 Z=0.91870000
      -2: X=0.68790000 Y=0.05350000 Z=0.08130000
      -2: X=0.31210000 Y=0.94650000 Z=0.91870000
      -2: X=0.68790000 Y=0.63440000 Z=0.58130000
      -2: X=0.31210000 Y=0.36560000 Z=0.41870000
      -2: X=0.94650000 Y=0.63440000 Z=0.08130000
      -2: X=0.05350000 Y=0.36560000 Z=0.91870000
      -2: X=0.36560000 Y=0.05350000 Z=0.58130000
      -2: X=0.63440000 Y=0.94650000 Z=0.41870000
      -2: X=0.94650000 Y=0.31210000 Z=0.58130000
      -2: X=0.05350000 Y=0.68790000 Z=0.41870000
F          NPT=  781  R0=.000100000 RMT=   2.00000   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  -3: X=0.33333333 Y=0.66666667 Z=0.18650000
          MULT= 4          ISPLIT=15
      -3: X=0.66666667 Y=0.33333333 Z=0.81350000
      -3: X=0.33333333 Y=0.66666667 Z=0.68650000
      -3: X=0.66666667 Y=0.33333333 Z=0.31350000
F          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -4: X=0.00000000 Y=0.00000000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000