P   LATTICE,NONEQUIV.ATOMS   6  200 Pm-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.470518 17.470518 17.470518 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.17270000 Z=0.25820000
          MULT=12          ISPLIT= 8
      -1: X=0.00000000 Y=0.82730000 Z=0.74180000
      -1: X=0.00000000 Y=0.82730000 Z=0.25820000
      -1: X=0.00000000 Y=0.17270000 Z=0.74180000
      -1: X=0.25820000 Y=0.00000000 Z=0.17270000
      -1: X=0.74180000 Y=0.00000000 Z=0.82730000
      -1: X=0.74180000 Y=0.00000000 Z=0.17270000
      -1: X=0.25820000 Y=0.00000000 Z=0.82730000
      -1: X=0.17270000 Y=0.25820000 Z=0.00000000
      -1: X=0.82730000 Y=0.74180000 Z=0.00000000
      -1: X=0.17270000 Y=0.74180000 Z=0.00000000
      -1: X=0.82730000 Y=0.25820000 Z=0.00000000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.26630000 Y=0.50000000 Z=0.50000000
          MULT= 6          ISPLIT= 8
      -2: X=0.73370000 Y=0.50000000 Z=0.50000000
      -2: X=0.50000000 Y=0.26630000 Z=0.50000000
      -2: X=0.50000000 Y=0.73370000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.26630000
      -2: X=0.50000000 Y=0.50000000 Z=0.73370000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.28330000 Y=0.28330000 Z=0.28330000
          MULT= 8          ISPLIT= 4
      -3: X=0.71670000 Y=0.71670000 Z=0.71670000
      -3: X=0.71670000 Y=0.71670000 Z=0.28330000
      -3: X=0.28330000 Y=0.28330000 Z=0.71670000
      -3: X=0.28330000 Y=0.71670000 Z=0.71670000
      -3: X=0.71670000 Y=0.28330000 Z=0.28330000
      -3: X=0.71670000 Y=0.28330000 Z=0.71670000
      -3: X=0.28330000 Y=0.71670000 Z=0.28330000
In         NPT=  781  R0=.000010000 RMT= 2.49        Z:  49.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.33930000 Y=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -4: X=0.66070000 Y=0.50000000 Z=0.00000000
      -4: X=0.00000000 Y=0.33930000 Z=0.50000000
      -4: X=0.00000000 Y=0.66070000 Z=0.50000000
      -4: X=0.50000000 Y=0.00000000 Z=0.33930000
      -4: X=0.50000000 Y=0.00000000 Z=0.66070000
In         NPT=  781  R0=.000010000 RMT= 2.49        Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM   5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
In         NPT=  781  R0=.000010000 RMT= 2.49        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.17200000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT= 8
      -6: X=0.82800000 Y=0.00000000 Z=0.50000000
      -6: X=0.50000000 Y=0.17200000 Z=0.00000000
      -6: X=0.50000000 Y=0.82800000 Z=0.00000000
      -6: X=0.00000000 Y=0.50000000 Z=0.17200000
      -6: X=0.00000000 Y=0.50000000 Z=0.82800000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000