P   LATTICE,NONEQUIV.ATOMS   4   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 27.112279 13.417056  8.199522 90.000000 90.000000116.053000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
Au         NPT=  781  R0=.000005000 RMT= 2.45        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.11787000 Y=0.30677000 Z=0.01500000
          MULT= 4          ISPLIT= 8
      -2: X=0.88213000 Y=0.69323000 Z=0.98500000
      -2: X=0.38213000 Y=0.19323000 Z=0.51500000
      -2: X=0.61787000 Y=0.80677000 Z=0.48500000
I          NPT=  781  R0=.000010000 RMT= 1.46        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.36038000 Y=0.19740000 Z=0.16389000
          MULT= 4          ISPLIT= 8
      -3: X=0.63962000 Y=0.80260000 Z=0.83611000
      -3: X=0.13962000 Y=0.30260000 Z=0.66389000
      -3: X=0.86038000 Y=0.69740000 Z=0.33611000
I          NPT=  781  R0=.000010000 RMT= 1.46        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.50000000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 1.63        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000