CXY LATTICE,NONEQUIV.ATOMS   4   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 38.503170 16.077790 21.210286 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.01770000 Z=0.50020000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.98230000 Z=0.00020000
As         NPT=  781  R0=.000050000 RMT= 2.50000     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  -2: X=0.16320000 Y=0.49220000 Z=0.49090000
          MULT= 4          ISPLIT= 8
      -2: X=0.83680000 Y=0.50780000 Z=0.99090000
      -2: X=0.83680000 Y=0.49220000 Z=0.49090000
      -2: X=0.16320000 Y=0.50780000 Z=0.99090000
As         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  33.00000              
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=0.40910000 Z=0.31380000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.59090000 Z=0.81380000
S          NPT=  781  R0=.000100000 RMT= 2.50000     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=0.33460000 Y=0.40310000 Z=0.17730000
          MULT= 4          ISPLIT= 8
      -4: X=0.66540000 Y=0.59690000 Z=0.67730000
      -4: X=0.66540000 Y=0.40310000 Z=0.17730000
      -4: X=0.33460000 Y=0.59690000 Z=0.67730000
S          NPT=  781  R0=.000100000 RMT= 2.50000     Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000