CXY LATTICE,NONEQUIV.ATOMS   6   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.242746 21.333118 14.560718 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.24533000 Z=0.01960000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.75467000 Z=0.51960000
Sb         NPT=  781  R0=.000010000 RMT= 2.42        Z:  51.00000              
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=0.09090000 Z=0.22350000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.90910000 Z=0.72350000
S          NPT=  781  R0=.000100000 RMT= 1.98        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  -3: X=0.32220000 Y=0.26920000 Z=0.34440000
          MULT= 4          ISPLIT= 8
      -3: X=0.67780000 Y=0.73080000 Z=0.84440000
      -3: X=0.67780000 Y=0.26920000 Z=0.34440000
      -3: X=0.32220000 Y=0.73080000 Z=0.84440000
S          NPT=  781  R0=.000100000 RMT= 1.98        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.42900000 Z=0.16390000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.57100000 Z=0.66390000
S          NPT=  781  R0=.000100000 RMT= 1.98        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  -5: X=0.27680000 Y=0.46990000 Z=0.01140000
          MULT= 4          ISPLIT= 8
      -5: X=0.72320000 Y=0.53010000 Z=0.51140000
      -5: X=0.72320000 Y=0.46990000 Z=0.01140000
      -5: X=0.27680000 Y=0.53010000 Z=0.51140000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.29930000 Z=0.51920000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.70070000 Z=0.01920000
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