P   LATTICE,NONEQUIV.ATOMS   2  136 P42/mnm                                    
MODE OF CALC=RELA unit=bohr                                                    
  9.158180  9.158180  5.728705 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 1.98        Z:  41.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.29240000 Y=0.29240000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.70760000 Y=0.70760000 Z=0.00000000
      -2: X=0.20760000 Y=0.79240000 Z=0.50000000
      -2: X=0.79240000 Y=0.20760000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000