CXY LATTICE,NONEQUIV.ATOMS   5   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.476171 20.534520 14.924112 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.15017000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.84983000 Z=0.75000000
      -1: X=0.25000000 Y=0.65017000 Z=0.25000000
      -1: X=0.75000000 Y=0.34983000 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 2.08        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=0.15531000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.84469000 Y=0.00000000 Z=0.00000000
      -2: X=0.15531000 Y=0.50000000 Z=0.50000000
      -2: X=0.84469000 Y=0.50000000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 2.08        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  -3: X=0.00000000 Y=0.31758000 Z=0.39446000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.68242000 Z=0.60554000
      -3: X=0.00000000 Y=0.81758000 Z=0.10554000
      -3: X=0.00000000 Y=0.18242000 Z=0.89446000
Li         NPT=  781  R0=.000100000 RMT= 2.08        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  -4: X=0.14813000 Y=0.35879000 Z=0.09360000
          MULT= 8          ISPLIT= 8
      -4: X=0.85187000 Y=0.64121000 Z=0.90640000
      -4: X=0.14813000 Y=0.85879000 Z=0.40640000
      -4: X=0.85187000 Y=0.14121000 Z=0.59360000
      -4: X=0.85187000 Y=0.35879000 Z=0.09360000
      -4: X=0.14813000 Y=0.64121000 Z=0.90640000
      -4: X=0.85187000 Y=0.85879000 Z=0.40640000
      -4: X=0.14813000 Y=0.14121000 Z=0.59360000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.08731000 Z=0.24128000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.91269000 Z=0.75872000
      -5: X=0.00000000 Y=0.58731000 Z=0.25872000
      -5: X=0.00000000 Y=0.41269000 Z=0.74128000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000