CXY LATTICE,NONEQUIV.ATOMS   3   63 Cmcm    
MODE OF CALC=RELA unit=bohr
  6.774857 22.350358  6.284095 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.03760000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.96240000 Z=0.75000000
B          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   5.00000
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=0.16430000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.83570000 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  -3: X=0.00000000 Y=0.36140000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.63860000 Z=0.75000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000