P   LATTICE,NONEQUIV.ATOMS   4   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.169836 12.415501 20.862577 90.000000 90.000000113.300000                   
ATOM  -1: X=0.23370000 Y=0.04150000 Z=0.08680000
          MULT= 4          ISPLIT= 8
      -1: X=0.76630000 Y=0.95850000 Z=0.91320000
      -1: X=0.26630000 Y=0.45850000 Z=0.58680000
      -1: X=0.73370000 Y=0.54150000 Z=0.41320000
Au         NPT=  781  R0=.000005000 RMT= 1.96        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=0.05900000 Y=0.25800000 Z=0.00300000
          MULT= 4          ISPLIT= 8
      -2: X=0.94100000 Y=0.74200000 Z=0.99700000
      -2: X=0.44100000 Y=0.24200000 Z=0.50300000
      -2: X=0.55900000 Y=0.75800000 Z=0.49700000
Cl         NPT=  781  R0=.000100000 RMT= 1.61        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00900000 Y=0.33500000 Z=0.33100000
          MULT= 4          ISPLIT= 8
      -3: X=0.99100000 Y=0.66500000 Z=0.66900000
      -3: X=0.49100000 Y=0.16500000 Z=0.83100000
      -3: X=0.50900000 Y=0.83500000 Z=0.16900000
Cl         NPT=  781  R0=.000100000 RMT= 1.61        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.10500000 Y=0.18000000 Z=0.66200000
          MULT= 4          ISPLIT= 8
      -4: X=0.89500000 Y=0.82000000 Z=0.33800000
      -4: X=0.39500000 Y=0.32000000 Z=0.16200000
      -4: X=0.60500000 Y=0.68000000 Z=0.83800000
Cl         NPT=  781  R0=.000100000 RMT= 1.61        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000