CXZ LATTICE,NONEQUIV.ATOMS   7   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.075506 14.264598 19.534099 90.000000 90.000000 49.254000                   
ATOM  -1: X=0.69640000 Y=0.26440000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.30360000 Y=0.73560000 Z=0.00000000
      -1: X=0.30360000 Y=0.23560000 Z=0.00000000
      -1: X=0.69640000 Y=0.76440000 Z=0.00000000
W          NPT=  781  R0=.000005000 RMT= 1.79        Z:  74.00000              
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=0.25000000 Z=0.22870000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.77130000
Y          NPT=  781  R0=.000010000 RMT= 2.23        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=0.25000000 Z=0.79970000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.75000000 Z=0.20030000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.87370000 Y=0.18900000 Z=0.07990000
          MULT= 4          ISPLIT= 8
      -4: X=0.12630000 Y=0.81100000 Z=0.92010000
      -4: X=0.12630000 Y=0.31100000 Z=0.07990000
      -4: X=0.87370000 Y=0.68900000 Z=0.92010000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.97620000 Y=0.47070000 Z=0.39140000
          MULT= 4          ISPLIT= 8
      -5: X=0.02380000 Y=0.52930000 Z=0.60860000
      -5: X=0.02380000 Y=0.02930000 Z=0.39140000
      -5: X=0.97620000 Y=0.97070000 Z=0.60860000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.72500000 Y=0.37440000 Z=0.34180000
          MULT= 4          ISPLIT= 8
      -6: X=0.27500000 Y=0.62560000 Z=0.65820000
      -6: X=0.27500000 Y=0.12560000 Z=0.34180000
      -6: X=0.72500000 Y=0.87440000 Z=0.65820000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.68990000 Y=0.05860000 Z=0.07640000
          MULT= 4          ISPLIT= 8
      -7: X=0.31010000 Y=0.94140000 Z=0.92360000
      -7: X=0.31010000 Y=0.44140000 Z=0.07640000
      -7: X=0.68990000 Y=0.55860000 Z=0.92360000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000