P   LATTICE,NONEQUIV.ATOMS   4  136 P42/mnm                                    
MODE OF CALC=RELA unit=bohr                                                    
 14.226236 14.226236 13.272869 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.32500000 Y=0.67500000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.67500000 Y=0.32500000 Z=0.00000000
      -1: X=0.82500000 Y=0.82500000 Z=0.50000000
      -1: X=0.17500000 Y=0.17500000 Z=0.50000000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068-0.7071068
                     0.0000000 0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.16200000 Y=0.16200000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.83800000 Y=0.83800000 Z=0.00000000
      -2: X=0.33800000 Y=0.66200000 Z=0.50000000
      -2: X=0.66200000 Y=0.33800000 Z=0.50000000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.37500000 Y=0.37500000 Z=0.23300000
          MULT= 8          ISPLIT= 8
      -3: X=0.62500000 Y=0.62500000 Z=0.76700000
      -3: X=0.12500000 Y=0.87500000 Z=0.73300000
      -3: X=0.87500000 Y=0.12500000 Z=0.26700000
      -3: X=0.62500000 Y=0.62500000 Z=0.23300000
      -3: X=0.37500000 Y=0.37500000 Z=0.76700000
      -3: X=0.87500000 Y=0.12500000 Z=0.73300000
      -3: X=0.12500000 Y=0.87500000 Z=0.26700000
Au         NPT=  781  R0=.000005000 RMT= 2.50        Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 4          ISPLIT=-2
      -4: X=0.00000000 Y=0.50000000 Z=0.75000000
      -4: X=0.50000000 Y=0.00000000 Z=0.75000000
      -4: X=0.50000000 Y=0.00000000 Z=0.25000000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000