CXY LATTICE,NONEQUIV.ATOMS   5   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.950757 14.045956 11.596871 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.33500000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.66500000 Y=0.00000000 Z=0.00000000
      -1: X=0.33500000 Y=0.00000000 Z=0.50000000
      -1: X=0.66500000 Y=0.00000000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 1.62        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.33300000 Y=0.25700000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.66700000 Y=0.74300000 Z=0.75000000
      -2: X=0.66700000 Y=0.25700000 Z=0.25000000
      -2: X=0.33300000 Y=0.74300000 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 1.62        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.15800000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.84200000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.77        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.30800000 Z=0.00500000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.69200000 Z=0.99500000
      -4: X=0.00000000 Y=0.30800000 Z=0.49500000
      -4: X=0.00000000 Y=0.69200000 Z=0.50500000
O          NPT=  781  R0=.000100000 RMT= 1.60        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  -5: X=0.19200000 Y=0.02900000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.80800000 Y=0.97100000 Z=0.75000000
      -5: X=0.80800000 Y=0.02900000 Z=0.25000000
      -5: X=0.19200000 Y=0.97100000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000