R   LATTICE,NONEQUIV.ATOMS   4  148 R-3     
MODE OF CALC=RELA unit=bohr
 18.513646 18.513646 17.393036 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
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=0.14420000 Y=0.32230000 Z=0.60910000
          MULT= 6          ISPLIT=15
      -2: X=0.85580000 Y=0.67770000 Z=0.39090000
      -2: X=0.32230000 Y=0.60910000 Z=0.14420000
      -2: X=0.67770000 Y=0.39090000 Z=0.85580000
      -2: X=0.60910000 Y=0.14420000 Z=0.32230000
      -2: X=0.39090000 Y=0.85580000 Z=0.67770000
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=0.31200000 Y=0.95200000 Z=0.09000000
          MULT= 6          ISPLIT=15
      -3: X=0.68800000 Y=0.04800000 Z=0.91000000
      -3: X=0.95200000 Y=0.09000000 Z=0.31200000
      -3: X=0.04800000 Y=0.91000000 Z=0.68800000
      -3: X=0.09000000 Y=0.31200000 Z=0.95200000
      -3: X=0.91000000 Y=0.68800000 Z=0.04800000
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  -4: X=0.59000000 Y=0.42201000 Z=0.18100000
          MULT= 6          ISPLIT=15
      -4: X=0.41000000 Y=0.57799000 Z=0.81900000
      -4: X=0.42201000 Y=0.18100000 Z=0.59000000
      -4: X=0.57799000 Y=0.81900000 Z=0.41000000
      -4: X=0.18100000 Y=0.59000000 Z=0.42201000
      -4: X=0.81900000 Y=0.41000000 Z=0.57799000
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