CXZ LATTICE,NONEQUIV.ATOMS   7   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.330343 13.082574 19.235522 90.000000 90.000000 83.050000                   
ATOM  -1: X=0.96088000 Y=0.05083000 Z=0.31649000
          MULT= 4          ISPLIT= 8
      -1: X=0.03912000 Y=0.94917000 Z=0.68351000
      -1: X=0.03912000 Y=0.44917000 Z=0.31649000
      -1: X=0.96088000 Y=0.55083000 Z=0.68351000
P          NPT=  781  R0=.000100000 RMT= 1.28        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.85935000 Y=0.32498000 Z=0.11536000
          MULT= 4          ISPLIT= 8
      -2: X=0.14065000 Y=0.67502000 Z=0.88464000
      -2: X=0.14065000 Y=0.17502000 Z=0.11536000
      -2: X=0.85935000 Y=0.82498000 Z=0.88464000
P          NPT=  781  R0=.000100000 RMT= 1.28        Z:  15.00000              
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=0.38310000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.75000000 Z=0.61690000
O          NPT=  781  R0=.000100000 RMT= 1.41        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  -4: X=0.00000000 Y=0.25000000 Z=0.03790000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.75000000 Z=0.96210000
O          NPT=  781  R0=.000100000 RMT= 1.41        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=0.90740000 Y=0.48650000 Z=0.20850000
          MULT= 4          ISPLIT= 8
      -5: X=0.09260000 Y=0.51350000 Z=0.79150000
      -5: X=0.09260000 Y=0.01350000 Z=0.20850000
      -5: X=0.90740000 Y=0.98650000 Z=0.79150000
O          NPT=  781  R0=.000100000 RMT= 1.41        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=0.84080000 Y=0.15010000 Z=0.21040000
          MULT= 4          ISPLIT= 8
      -6: X=0.15920000 Y=0.84990000 Z=0.78960000
      -6: X=0.15920000 Y=0.34990000 Z=0.21040000
      -6: X=0.84080000 Y=0.65010000 Z=0.78960000
O          NPT=  781  R0=.000100000 RMT= 1.41        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=0.74480000 Y=0.38900000 Z=0.03060000
          MULT= 4          ISPLIT= 8
      -7: X=0.25520000 Y=0.61100000 Z=0.96940000
      -7: X=0.25520000 Y=0.11100000 Z=0.03060000
      -7: X=0.74480000 Y=0.88900000 Z=0.96940000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000