P   LATTICE,NONEQUIV.ATOMS   2  129 P4/nmm                                     
MODE OF CALC=RELA unit=bohr                                                    
  8.938405  8.938405  6.009329 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.75000000 Y=0.25000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.25000000 Y=0.75000000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.49        Z:  21.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.37500000
          MULT= 2          ISPLIT=-2
      -2: X=0.75000000 Y=0.75000000 Z=0.62500000
Sc         NPT=  781  R0=.000050000 RMT= 2.49        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000