CXY LATTICE,NONEQUIV.ATOMS   8   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.373042 42.292071 26.569549 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.34484000 Z=0.48582000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.65516000 Z=0.98582000
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=0.50971000 Z=0.26219000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.49029000 Z=0.76219000
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=0.13046000 Z=0.54859000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.86954000 Z=0.04859000
Li         NPT=  781  R0=.000100000 RMT= 2.19        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=0.72128000 Z=0.28453000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.27872000 Z=0.78453000
Li         NPT=  781  R0=.000100000 RMT= 2.19        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=0.69129000 Z=0.48012000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.30871000 Z=0.98012000
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=0.14886000 Z=0.75584000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.85114000 Z=0.25584000
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  -7: X=0.00000000 Y=0.00320000 Z=0.50774000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.99680000 Z=0.00774000
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  -8: X=0.00000000 Y=0.16134000 Z=0.21686000
          MULT= 2          ISPLIT= 8
      -8: X=0.00000000 Y=0.83866000 Z=0.71686000
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