CXZ LATTICE,NONEQUIV.ATOMS   8    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 25.101232 10.527664 15.711183 90.000000 90.000000 76.250000                   
ATOM  -1: X=0.57330000 Y=0.11290000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -1: X=0.42670000 Y=0.88710000 Z=0.50000000
I          NPT=  781  R0=.000010000 RMT= 2.40        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.85580000 Y=0.45630000 Z=0.49400000
          MULT= 2          ISPLIT= 8
      -2: X=0.14420000 Y=0.54370000 Z=0.49400000
Sb         NPT=  781  R0=.000010000 RMT= 1.76        Z:  51.00000              
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=0.50000000 Z=0.52200000
          MULT= 1          ISPLIT= 8
F          NPT=  781  R0=.000100000 RMT= 1.59        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=0.77600000 Y=0.58800000 Z=0.00900000
          MULT= 2          ISPLIT= 8
      -4: X=0.22400000 Y=0.41200000 Z=0.00900000
F          NPT=  781  R0=.000100000 RMT= 1.59        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=0.68400000 Y=0.25600000 Z=0.13600000
          MULT= 2          ISPLIT= 8
      -5: X=0.31600000 Y=0.74400000 Z=0.13600000
F          NPT=  781  R0=.000100000 RMT= 1.59        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=0.84200000 Y=0.65000000 Z=0.32100000
          MULT= 2          ISPLIT= 8
      -6: X=0.15800000 Y=0.35000000 Z=0.32100000
F          NPT=  781  R0=.000100000 RMT= 1.59        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  -7: X=0.91500000 Y=0.18500000 Z=0.38100000
          MULT= 2          ISPLIT= 8
      -7: X=0.08500000 Y=0.81500000 Z=0.38100000
F          NPT=  781  R0=.000100000 RMT= 1.59        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  -8: X=0.39000000 Y=0.26700000 Z=0.18000000
          MULT= 2          ISPLIT= 8
      -8: X=0.61000000 Y=0.73300000 Z=0.18000000
F          NPT=  781  R0=.000100000 RMT= 1.59        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000