CXY LATTICE,NONEQUIV.ATOMS   7   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.270327 23.118910 15.490085 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.60470000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.39530000 Z=0.50000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.06430000 Z=0.34840000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.93570000 Z=0.84840000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
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=0.30310000 Z=0.05430000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.69690000 Z=0.55430000
As         NPT=  781  R0=.000050000 RMT= 1.65        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.20680000 Z=0.76610000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.79320000 Z=0.26610000
Li         NPT=  781  R0=.000100000 RMT= 1.60        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  -5: X=0.00000000 Y=0.16870000 Z=0.01360000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.83130000 Z=0.51360000
O          NPT=  781  R0=.000100000 RMT= 1.50        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=0.63520000 Z=0.36870000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.36480000 Z=0.86870000
O          NPT=  781  R0=.000100000 RMT= 1.50        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  -7: X=0.23550000 Y=0.33940000 Z=0.15870000
          MULT= 4          ISPLIT= 8
      -7: X=0.76450000 Y=0.66060000 Z=0.65870000
      -7: X=0.76450000 Y=0.33940000 Z=0.15870000
      -7: X=0.23550000 Y=0.66060000 Z=0.65870000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000