R   LATTICE,NONEQUIV.ATOMS   4  148 R-3     
MODE OF CALC=RELA unit=bohr
 19.781653 19.781653 18.863243 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=0.14590000 Y=0.31010000 Z=0.60550000
          MULT= 6          ISPLIT=15
      -2: X=0.85410000 Y=0.68990000 Z=0.39450000
      -2: X=0.31010000 Y=0.60550000 Z=0.14590000
      -2: X=0.68990000 Y=0.39450000 Z=0.85410000
      -2: X=0.60550000 Y=0.14590000 Z=0.31010000
      -2: X=0.39450000 Y=0.85410000 Z=0.68990000
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  -3: X=0.32600000 Y=0.95200000 Z=0.10000000
          MULT= 6          ISPLIT=15
      -3: X=0.67400000 Y=0.04800000 Z=0.90000000
      -3: X=0.95200000 Y=0.10000000 Z=0.32600000
      -3: X=0.04800000 Y=0.90000000 Z=0.67400000
      -3: X=0.10000000 Y=0.32600000 Z=0.95200000
      -3: X=0.90000000 Y=0.67400000 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=0.58500000 Y=0.42201000 Z=0.18300000
          MULT= 6          ISPLIT=15
      -4: X=0.41500000 Y=0.57799000 Z=0.81700000
      -4: X=0.42201000 Y=0.18300000 Z=0.58500000
      -4: X=0.57799000 Y=0.81700000 Z=0.41500000
      -4: X=0.18300000 Y=0.58500000 Z=0.42201000
      -4: X=0.81700000 Y=0.41500000 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