CXY LATTICE,NONEQUIV.ATOMS   7   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.169389 54.254037  5.912008 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.13817000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.86183000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.20        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.28757000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.71243000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.20        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.95310000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.04690000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.20        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.21220000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.78780000 Z=0.75000000
C          NPT=  781  R0=.000100000 RMT= 1.80        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.57910000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.42090000 Z=0.75000000
B          NPT=  781  R0=.000100000 RMT= 1.69        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.38710000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.61290000 Z=0.75000000
B          NPT=  781  R0=.000100000 RMT= 1.69        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.51560000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.48440000 Z=0.75000000
B          NPT=  781  R0=.000100000 RMT= 1.69        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000