P   LATTICE,NONEQUIV.ATOMS   4  136 P42/mnm                                    
MODE OF CALC=RELA unit=bohr                                                    
 18.339792 18.339792  8.651166 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.16420000 Y=0.16420000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.83580000 Y=0.83580000 Z=0.00000000
      -1: X=0.33580000 Y=0.66420000 Z=0.50000000
      -1: X=0.66420000 Y=0.33580000 Z=0.50000000
Au         NPT=  781  R0=.000005000 RMT= 2.10        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  -2: X=0.17750000 Y=0.82250000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.82250000 Y=0.17750000 Z=0.00000000
      -2: X=0.67750000 Y=0.67750000 Z=0.50000000
      -2: X=0.32250000 Y=0.32250000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.05        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068-0.7071068
                     0.0000000 0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.15160000 Y=0.48590000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -3: X=0.84840000 Y=0.51410000 Z=0.00000000
      -3: X=0.01410000 Y=0.65160000 Z=0.50000000
      -3: X=0.98590000 Y=0.34840000 Z=0.50000000
      -3: X=0.34840000 Y=0.98590000 Z=0.50000000
      -3: X=0.65160000 Y=0.01410000 Z=0.50000000
      -3: X=0.51410000 Y=0.84840000 Z=0.00000000
      -3: X=0.48590000 Y=0.15160000 Z=0.00000000
Na         NPT=  781  R0=.000100000 RMT= 2.05        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.01240000 Y=0.30920000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -4: X=0.98760000 Y=0.69080000 Z=0.00000000
      -4: X=0.19080000 Y=0.51240000 Z=0.50000000
      -4: X=0.80920000 Y=0.48760000 Z=0.50000000
      -4: X=0.48760000 Y=0.80920000 Z=0.50000000
      -4: X=0.51240000 Y=0.19080000 Z=0.50000000
      -4: X=0.69080000 Y=0.98760000 Z=0.00000000
      -4: X=0.30920000 Y=0.01240000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.72        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000