CXY LATTICE,NONEQUIV.ATOMS  13   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.135460 35.966024 39.180637 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.32822000 Z=0.00135000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.67178000 Z=0.99865000
      -1: X=0.00000000 Y=0.32822000 Z=0.49865000
      -1: X=0.00000000 Y=0.67178000 Z=0.50135000
Sn         NPT=  781  R0=.000010000 RMT= 1.98        Z:  50.00000              
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=0.12898000 Z=0.64825000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.87102000 Z=0.35175000
      -2: X=0.00000000 Y=0.12898000 Z=0.85175000
      -2: X=0.00000000 Y=0.87102000 Z=0.14825000
Sn         NPT=  781  R0=.000010000 RMT= 1.98        Z:  50.00000              
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=0.37700000 Z=0.10082000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.62300000 Z=0.89918000
      -3: X=0.00000000 Y=0.37700000 Z=0.39918000
      -3: X=0.00000000 Y=0.62300000 Z=0.60082000
F          NPT=  781  R0=.000100000 RMT= 1.79        Z:   9.00000              
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=0.14144000 Z=0.53827000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.85856000 Z=0.46173000
      -4: X=0.00000000 Y=0.14144000 Z=0.96173000
      -4: X=0.00000000 Y=0.85856000 Z=0.03827000
F          NPT=  781  R0=.000100000 RMT= 1.79        Z:   9.00000              
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=0.02572000 Z=0.62785000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.97428000 Z=0.37215000
      -5: X=0.00000000 Y=0.02572000 Z=0.87215000
      -5: X=0.00000000 Y=0.97428000 Z=0.12785000
F          NPT=  781  R0=.000100000 RMT= 1.79        Z:   9.00000              
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=0.57285000 Z=0.03268000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.42715000 Z=0.96732000
      -6: X=0.00000000 Y=0.57285000 Z=0.46732000
      -6: X=0.00000000 Y=0.42715000 Z=0.53268000
F          NPT=  781  R0=.000100000 RMT= 1.79        Z:   9.00000              
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=0.20467000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.79533000 Z=0.75000000
Sn         NPT=  781  R0=.000010000 RMT= 1.98        Z:  50.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.00000000 Y=0.18292000 Z=0.11499000
          MULT= 4          ISPLIT= 8
      -8: X=0.00000000 Y=0.81708000 Z=0.88501000
      -8: X=0.00000000 Y=0.18292000 Z=0.38501000
      -8: X=0.00000000 Y=0.81708000 Z=0.61499000
Cl         NPT=  781  R0=.000100000 RMT= 2.46        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -9: X=0.00000000 Y=0.67410000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.00000000 Y=0.32590000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.79        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM -10: X=0.00000000 Y=0.09780000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -10: X=0.00000000 Y=0.90220000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.79        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM -11: X=0.00000000 Y=0.42342000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -11: X=0.00000000 Y=0.57658000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.46        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM -12: X=0.00000000 Y=0.55776000 Z=0.16075000
          MULT= 4          ISPLIT= 8
     -12: X=0.00000000 Y=0.44224000 Z=0.83925000
     -12: X=0.00000000 Y=0.55776000 Z=0.33925000
     -12: X=0.00000000 Y=0.44224000 Z=0.66075000
K          NPT=  781  R0=.000050000 RMT= 2.43        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 -13: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
     -13: X=0.00000000 Y=0.00000000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.43        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000