CXY LATTICE,NONEQUIV.ATOMS   6   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.543117 52.250928 17.706734 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.32488000 Z=0.50760000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.67512000 Z=0.00760000
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=0.49672000 Z=0.01356000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.50328000 Z=0.51356000
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=0.15031000 Z=0.51697000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.84969000 Z=0.01697000
Li         NPT=  781  R0=.000100000 RMT= 2.26        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=0.00000000 Y=0.08594000 Z=0.76420000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.91406000 Z=0.26420000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
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=0.29250000 Z=0.02942000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.70750000 Z=0.52942000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
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=0.08870000 Z=0.26478000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.91130000 Z=0.76478000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000