CXY LATTICE,NONEQUIV.ATOMS   6   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.834032 21.612042 11.905653 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.53090000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.46910000 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 1.64        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.09881000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.90119000 Z=0.75000000
B          NPT=  781  R0=.000100000 RMT= 1.16        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.18067000 Y=0.03100000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.81933000 Y=0.96900000 Z=0.75000000
      -3: X=0.81933000 Y=0.03100000 Z=0.25000000
      -3: X=0.18067000 Y=0.96900000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.42        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=0.28827000 Z=0.12873000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.71173000 Z=0.87127000
      -4: X=0.00000000 Y=0.28827000 Z=0.37127000
      -4: X=0.00000000 Y=0.71173000 Z=0.62873000
C          NPT=  781  R0=.000100000 RMT= 1.08        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.37744000 Z=0.02495000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.62256000 Z=0.97505000
      -5: X=0.00000000 Y=0.37744000 Z=0.47505000
      -5: X=0.00000000 Y=0.62256000 Z=0.52495000
O          NPT=  781  R0=.000100000 RMT= 1.19        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.18051000 Z=0.06157000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.81949000 Z=0.93843000
      -6: X=0.00000000 Y=0.18051000 Z=0.43843000
      -6: X=0.00000000 Y=0.81949000 Z=0.56157000
O          NPT=  781  R0=.000100000 RMT= 1.19        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000