CXY LATTICE,NONEQUIV.ATOMS   9   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.101359 70.947878  5.920701 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.33815000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.66185000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.18        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=0.21958000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.78042000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.18        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=0.10561000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.89439000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.18        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=0.96419000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.03581000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.18        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  -5: X=0.00000000 Y=0.27982000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.72018000 Z=0.75000000
C          NPT=  781  R0=.000100000 RMT= 1.79        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  -6: X=0.00000000 Y=0.16191000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.83809000 Z=0.75000000
C          NPT=  781  R0=.000100000 RMT= 1.79        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  -7: X=0.00000000 Y=0.51170000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.48830000 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  -8: X=0.00000000 Y=0.56017000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.00000000 Y=0.43983000 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  -9: X=0.00000000 Y=0.41432000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.00000000 Y=0.58568000 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