CXY LATTICE,NONEQUIV.ATOMS   4   63 Cmcm    
MODE OF CALC=RELA unit=bohr
  5.895946 19.180720 14.059562 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.74000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.26000000 Z=0.75000000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Ta         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  73.00000
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=0.07000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.93000000 Z=0.75000000
N          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   7.00000
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=0.36900000 Z=0.05700000
          MULT= 4          ISPLIT=15
      -4: X=0.00000000 Y=0.63100000 Z=0.94300000
      -4: X=0.00000000 Y=0.36900000 Z=0.44300000
      -4: X=0.00000000 Y=0.63100000 Z=0.55700000
N          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   7.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000