CXY LATTICE,NONEQUIV.ATOMS   4   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.812008 18.734745 14.121923 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.10570000 Z=0.11450000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.89430000 Z=0.61450000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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=0.42680000 Z=0.33710000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.57320000 Z=0.83710000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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=0.20590000 Z=0.65770000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.79410000 Z=0.15770000
S          NPT=  781  R0=.000100000 RMT= 1.96        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.27320000 Y=0.33950000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.72680000 Y=0.66050000 Z=0.50000000
      -4: X=0.72680000 Y=0.33950000 Z=0.00000000
      -4: X=0.27320000 Y=0.66050000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT= 1.96        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000