CXZ LATTICE,NONEQUIV.ATOMS   5   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.942409 19.571894  6.353259 90.000000 90.000000 66.524000                   
ATOM  -1: X=0.32000000 Y=0.28980000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.68000000 Y=0.71020000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.41        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Pd         NPT=  781  R0=.000010000 RMT= 2.35        Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.99410000 Y=0.23870000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00590000 Y=0.76130000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.24        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.65850000 Y=0.46040000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.34150000 Y=0.53960000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.24        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.78150000 Y=0.12520000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.21850000 Y=0.87480000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.24        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000