CXY LATTICE,NONEQUIV.ATOMS   6   20 C2221                                      
MODE OF CALC=RELA unit=bohr                                                    
 23.810549 26.928597 16.761871 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.77911000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.22089000 Z=0.75000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.22301000 Y=0.07255000 Z=0.26645000
          MULT= 4          ISPLIT= 8
      -2: X=0.77699000 Y=0.92745000 Z=0.76645000
      -2: X=0.22301000 Y=0.92745000 Z=0.73355000
      -2: X=0.77699000 Y=0.07255000 Z=0.23355000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
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=0.39407000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.60593000 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 2.14        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  -4: X=0.18067000 Y=0.31787000 Z=0.14606000
          MULT= 4          ISPLIT= 8
      -4: X=0.81933000 Y=0.68213000 Z=0.64606000
      -4: X=0.18067000 Y=0.68213000 Z=0.85394000
      -4: X=0.81933000 Y=0.31787000 Z=0.35394000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.01006000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.98994000 Y=0.00000000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.44916000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.55084000 Y=0.00000000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000