H   LATTICE,NONEQUIV.ATOMS   5  185 P63cm   
MODE OF CALC=RELA unit=bohr
 13.566344 13.566344 13.880038 90.000000 90.000000120.000000
ATOM  -1: X=0.66780000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -1: X=0.66780000 Y=0.66780000 Z=0.75000000
      -1: X=0.00000000 Y=0.66780000 Z=0.25000000
      -1: X=0.33220000 Y=0.00000000 Z=0.75000000
      -1: X=0.33220000 Y=0.33220000 Z=0.25000000
      -1: X=0.00000000 Y=0.33220000 Z=0.75000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
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=0.17900000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.00000000 Z=0.67900000
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=0.29600000
          MULT= 4          ISPLIT=15
      -3: X=0.66666666 Y=0.33333333 Z=0.79600000
      -3: X=0.66666667 Y=0.33333333 Z=0.29600000
      -3: X=0.33333334 Y=0.66666667 Z=0.79600000
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=0.27430000 Y=0.00000000 Z=0.41910000
          MULT= 6          ISPLIT=15
      -4: X=0.27430000 Y=0.27430000 Z=0.91910000
      -4: X=0.00000000 Y=0.27430000 Z=0.41910000
      -4: X=0.72570000 Y=0.00000000 Z=0.91910000
      -4: X=0.72570000 Y=0.72570000 Z=0.41910000
      -4: X=0.00000000 Y=0.72570000 Z=0.91910000
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  -5: X=0.37090000 Y=0.00000000 Z=0.08520000
          MULT= 6          ISPLIT=15
      -5: X=0.37090000 Y=0.37090000 Z=0.58520000
      -5: X=0.00000000 Y=0.37090000 Z=0.08520000
      -5: X=0.62910000 Y=0.00000000 Z=0.58520000
      -5: X=0.62910000 Y=0.62910000 Z=0.08520000
      -5: X=0.00000000 Y=0.62910000 Z=0.58520000
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