CXZ LATTICE,NONEQUIV.ATOMS   6   15 B2/b    
MODE OF CALC=RELA unit=bohr
 26.650241 15.395032 13.107329 90.000000 90.000000 55.150000
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.02395000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.75000000 Z=0.97605000
Pa         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  91.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.82848000 Y=0.11238000 Z=0.49046000
          MULT= 4          ISPLIT=15
      -2: X=0.17152000 Y=0.88762000 Z=0.50954000
      -2: X=0.17152000 Y=0.38762000 Z=0.49046000
      -2: X=0.82848000 Y=0.61238000 Z=0.50954000
Rb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  37.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.82940000 Y=0.48470000 Z=0.11710000
          MULT= 4          ISPLIT=15
      -3: X=0.17060000 Y=0.51530000 Z=0.88290000
      -3: X=0.17060000 Y=0.01530000 Z=0.11710000
      -3: X=0.82940000 Y=0.98470000 Z=0.88290000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
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=0.34110000
          MULT= 2          ISPLIT=15
      -4: X=0.00000000 Y=0.75000000 Z=0.65890000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.61020000 Y=0.21010000 Z=0.28420000
          MULT= 4          ISPLIT=15
      -5: X=0.38980000 Y=0.78990000 Z=0.71580000
      -5: X=0.38980000 Y=0.28990000 Z=0.28420000
      -5: X=0.61020000 Y=0.71010000 Z=0.71580000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.92740000 Y=0.07760000 Z=0.12780000
          MULT= 4          ISPLIT=15
      -6: X=0.07260000 Y=0.92240000 Z=0.87220000
      -6: X=0.07260000 Y=0.42240000 Z=0.12780000
      -6: X=0.92740000 Y=0.57760000 Z=0.87220000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000