P   LATTICE,NONEQUIV.ATOMS   3  205 Pa-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.174209 17.174209 17.174209 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.08026000 Y=0.25994000 Z=0.35509000
          MULT=24          ISPLIT= 8
      -1: X=0.91974000 Y=0.74006000 Z=0.64491000
      -1: X=0.41974000 Y=0.74006000 Z=0.85509000
      -1: X=0.58026000 Y=0.25994000 Z=0.14491000
      -1: X=0.58026000 Y=0.24006000 Z=0.64491000
      -1: X=0.41974000 Y=0.75994000 Z=0.35509000
      -1: X=0.35509000 Y=0.08026000 Z=0.25994000
      -1: X=0.64491000 Y=0.91974000 Z=0.74006000
      -1: X=0.91974000 Y=0.75994000 Z=0.14491000
      -1: X=0.08026000 Y=0.24006000 Z=0.85509000
      -1: X=0.14491000 Y=0.91974000 Z=0.75994000
      -1: X=0.85509000 Y=0.08026000 Z=0.24006000
      -1: X=0.85509000 Y=0.41974000 Z=0.74006000
      -1: X=0.14491000 Y=0.58026000 Z=0.25994000
      -1: X=0.64491000 Y=0.58026000 Z=0.24006000
      -1: X=0.35509000 Y=0.41974000 Z=0.75994000
      -1: X=0.25994000 Y=0.35509000 Z=0.08026000
      -1: X=0.74006000 Y=0.64491000 Z=0.91974000
      -1: X=0.24006000 Y=0.64491000 Z=0.58026000
      -1: X=0.75994000 Y=0.35509000 Z=0.41974000
      -1: X=0.75994000 Y=0.14491000 Z=0.91974000
      -1: X=0.24006000 Y=0.85509000 Z=0.08026000
      -1: X=0.74006000 Y=0.85509000 Z=0.41974000
      -1: X=0.25994000 Y=0.14491000 Z=0.58026000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     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=0.09961000 Y=0.09961000 Z=0.09961000
          MULT= 8          ISPLIT= 4
      -2: X=0.90039000 Y=0.90039000 Z=0.90039000
      -2: X=0.40039000 Y=0.90039000 Z=0.59961000
      -2: X=0.59961000 Y=0.09961000 Z=0.40039000
      -2: X=0.59961000 Y=0.40039000 Z=0.90039000
      -2: X=0.40039000 Y=0.59961000 Z=0.09961000
      -2: X=0.90039000 Y=0.59961000 Z=0.40039000
      -2: X=0.09961000 Y=0.40039000 Z=0.59961000
Ga         NPT=  781  R0=.000050000 RMT= 2.29        Z:  31.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.39410000 Y=0.39410000 Z=0.39410000
          MULT= 8          ISPLIT= 4
      -3: X=0.60590000 Y=0.60590000 Z=0.60590000
      -3: X=0.10590000 Y=0.60590000 Z=0.89410000
      -3: X=0.89410000 Y=0.39410000 Z=0.10590000
      -3: X=0.89410000 Y=0.10590000 Z=0.60590000
      -3: X=0.10590000 Y=0.89410000 Z=0.39410000
      -3: X=0.60590000 Y=0.89410000 Z=0.10590000
      -3: X=0.39410000 Y=0.10590000 Z=0.89410000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503