CXZ LATTICE,NONEQUIV.ATOMS   3   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.702954 14.737974  6.417510 90.000000 90.000000 60.580000                   
ATOM  -1: X=0.84260000 Y=0.19650000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.15740000 Y=0.80350000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.59410000 Y=0.10840000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.40590000 Y=0.89160000 Z=0.00000000
As         NPT=  781  R0=.000050000 RMT= 2.29        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=0.86000000 Y=0.52800000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.14000000 Y=0.47200000 Z=0.00000000
As         NPT=  781  R0=.000050000 RMT= 2.29        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000