CXZ LATTICE,NONEQUIV.ATOMS   5   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.464514 16.527545 17.096352 90.000000 90.000000 77.330000                   
ATOM  -1: X=0.99830000 Y=0.43340000 Z=0.20240000
          MULT= 4          ISPLIT= 8
      -1: X=0.00170000 Y=0.56660000 Z=0.79760000
      -1: X=0.00170000 Y=0.06660000 Z=0.20240000
      -1: X=0.99830000 Y=0.93340000 Z=0.79760000
P          NPT=  781  R0=.000100000 RMT= 1.93        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=0.84990000 Y=0.37000000 Z=0.38610000
          MULT= 4          ISPLIT= 8
      -2: X=0.15010000 Y=0.63000000 Z=0.61390000
      -2: X=0.15010000 Y=0.13000000 Z=0.38610000
      -2: X=0.84990000 Y=0.87000000 Z=0.61390000
P          NPT=  781  R0=.000100000 RMT= 1.93        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=0.53800000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.75000000 Z=0.46200000
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
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=0.05080000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.75000000 Z=0.94920000
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.80400000 Y=0.16570000 Z=0.29450000
          MULT= 4          ISPLIT= 8
      -5: X=0.19600000 Y=0.83430000 Z=0.70550000
      -5: X=0.19600000 Y=0.33430000 Z=0.29450000
      -5: X=0.80400000 Y=0.66570000 Z=0.70550000
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000