P   LATTICE,NONEQUIV.ATOMS   5  136 P42/mnm                                    
MODE OF CALC=RELA unit=bohr                                                    
 17.217295 17.217295  6.757661 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18000000 Y=0.59000000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -1: X=0.82000000 Y=0.41000000 Z=0.00000000
      -1: X=0.91000000 Y=0.68000000 Z=0.50000000
      -1: X=0.09000000 Y=0.32000000 Z=0.50000000
      -1: X=0.32000000 Y=0.09000000 Z=0.50000000
      -1: X=0.68000000 Y=0.91000000 Z=0.50000000
      -1: X=0.41000000 Y=0.82000000 Z=0.00000000
      -1: X=0.59000000 Y=0.18000000 Z=0.00000000
Li         NPT=  781  R0=.000100000 RMT= 1.60        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.17000000 Y=0.17000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.83000000 Y=0.83000000 Z=0.00000000
      -2: X=0.33000000 Y=0.67000000 Z=0.50000000
      -2: X=0.67000000 Y=0.33000000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 1.60        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.38000000 Y=0.38000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.62000000 Y=0.62000000 Z=0.00000000
      -3: X=0.12000000 Y=0.88000000 Z=0.50000000
      -3: X=0.88000000 Y=0.12000000 Z=0.50000000
Au         NPT=  781  R0=.000005000 RMT= 2.15        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=0.15200000 Y=0.38400000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -4: X=0.84800000 Y=0.61600000 Z=0.00000000
      -4: X=0.11600000 Y=0.65200000 Z=0.50000000
      -4: X=0.88400000 Y=0.34800000 Z=0.50000000
      -4: X=0.34800000 Y=0.88400000 Z=0.50000000
      -4: X=0.65200000 Y=0.11600000 Z=0.50000000
      -4: X=0.61600000 Y=0.84800000 Z=0.00000000
      -4: X=0.38400000 Y=0.15200000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.76        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.39200000 Y=0.60800000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.60800000 Y=0.39200000 Z=0.00000000
      -5: X=0.89200000 Y=0.89200000 Z=0.50000000
      -5: X=0.10800000 Y=0.10800000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.76        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068-0.7071068
                     0.0000000 0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000