CXZ LATTICE,NONEQUIV.ATOMS   3    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 17.682167 14.724746  6.391621 90.000000 90.000000 60.540000                   
ATOM  -1: X=0.65560000 Y=0.30440000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -1: X=0.34440000 Y=0.69560000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 2.38        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.90520000 Y=0.39280000 Z=0.48800000
          MULT= 2          ISPLIT= 8
      -2: X=0.09480000 Y=0.60720000 Z=0.48800000
As         NPT=  781  R0=.000050000 RMT= 2.30        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.86010000 Y=0.02570000 Z=0.06700000
          MULT= 2          ISPLIT= 8
      -3: X=0.13990000 Y=0.97430000 Z=0.06700000
As         NPT=  781  R0=.000050000 RMT= 2.30        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000