CXY LATTICE,NONEQUIV.ATOMS   7   63 Cmcm    
MODE OF CALC=RELA unit=bohr
  6.683961 29.969167 17.755867 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.39440000 Z=0.05970000
          MULT= 4          ISPLIT=15
      -1: X=0.00000000 Y=0.60560000 Z=0.94030000
      -1: X=0.00000000 Y=0.39440000 Z=0.44030000
      -1: X=0.00000000 Y=0.60560000 Z=0.55970000
Y          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  39.00000
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=0.74320000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.25680000 Z=0.75000000
Y          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  39.00000
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=0.55290000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.44710000 Z=0.75000000
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=0.22600000 Z=0.02300000
          MULT= 4          ISPLIT=15
      -4: X=0.00000000 Y=0.77400000 Z=0.97700000
      -4: X=0.00000000 Y=0.22600000 Z=0.47700000
      -4: X=0.00000000 Y=0.77400000 Z=0.52300000
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  -5: X=0.00000000 Y=0.13300000 Z=0.14800000
          MULT= 4          ISPLIT=15
      -5: X=0.00000000 Y=0.86700000 Z=0.85200000
      -5: X=0.00000000 Y=0.13300000 Z=0.35200000
      -5: X=0.00000000 Y=0.86700000 Z=0.64800000
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  -6: X=0.00000000 Y=0.01900000 Z=0.09200000
          MULT= 4          ISPLIT=15
      -6: X=0.00000000 Y=0.98100000 Z=0.90800000
      -6: X=0.00000000 Y=0.01900000 Z=0.40800000
      -6: X=0.00000000 Y=0.98100000 Z=0.59200000
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  -7: X=0.00000000 Y=0.95600000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -7: X=0.00000000 Y=0.04400000 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