CXY LATTICE,NONEQUIV.ATOMS   7   65 Cmmm    
MODE OF CALC=RELA unit=bohr
 14.725880 25.738070  6.058840 90.000000 90.000000 90.000000
ATOM  -1: X=0.21090000 Y=0.12854000 Z=0.50000000
          MULT= 4          ISPLIT=15
      -1: X=0.78910000 Y=0.87146000 Z=0.50000000
      -1: X=0.78910000 Y=0.12854000 Z=0.50000000
      -1: X=0.21090000 Y=0.87146000 Z=0.50000000
Sc         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  21.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Sc         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  21.00000
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=0.28381000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.71619000 Z=0.00000000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
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=0.38160000 Z=0.50000000
          MULT= 2          ISPLIT=15
      -4: X=0.00000000 Y=0.61840000 Z=0.50000000
C          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   6.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.17340000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -5: X=0.82660000 Y=0.00000000 Z=0.00000000
C          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   6.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.25000000 Y=0.25000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -6: X=0.75000000 Y=0.25000000 Z=0.00000000
C          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   6.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
C          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   6.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000