P   LATTICE,NONEQUIV.ATOMS   3  205 Pa-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.047219 17.047219 17.047219 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.09600000 Y=0.09600000 Z=0.09600000
          MULT= 8          ISPLIT= 4
      -1: X=0.90400000 Y=0.90400000 Z=0.90400000
      -1: X=0.40400000 Y=0.90400000 Z=0.59600000
      -1: X=0.59600000 Y=0.09600000 Z=0.40400000
      -1: X=0.59600000 Y=0.40400000 Z=0.90400000
      -1: X=0.40400000 Y=0.59600000 Z=0.09600000
      -1: X=0.90400000 Y=0.59600000 Z=0.40400000
      -1: X=0.09600000 Y=0.40400000 Z=0.59600000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.14070000 Y=0.40950000 Z=0.23020000
          MULT=24          ISPLIT= 8
      -2: X=0.85930000 Y=0.59050000 Z=0.76980000
      -2: X=0.35930000 Y=0.59050000 Z=0.73020000
      -2: X=0.64070000 Y=0.40950000 Z=0.26980000
      -2: X=0.64070000 Y=0.09050000 Z=0.76980000
      -2: X=0.35930000 Y=0.90950000 Z=0.23020000
      -2: X=0.23020000 Y=0.14070000 Z=0.40950000
      -2: X=0.76980000 Y=0.85930000 Z=0.59050000
      -2: X=0.85930000 Y=0.90950000 Z=0.26980000
      -2: X=0.14070000 Y=0.09050000 Z=0.73020000
      -2: X=0.26980000 Y=0.85930000 Z=0.90950000
      -2: X=0.73020000 Y=0.14070000 Z=0.09050000
      -2: X=0.73020000 Y=0.35930000 Z=0.59050000
      -2: X=0.26980000 Y=0.64070000 Z=0.40950000
      -2: X=0.76980000 Y=0.64070000 Z=0.09050000
      -2: X=0.23020000 Y=0.35930000 Z=0.90950000
      -2: X=0.40950000 Y=0.23020000 Z=0.14070000
      -2: X=0.59050000 Y=0.76980000 Z=0.85930000
      -2: X=0.09050000 Y=0.76980000 Z=0.64070000
      -2: X=0.90950000 Y=0.23020000 Z=0.35930000
      -2: X=0.90950000 Y=0.26980000 Z=0.85930000
      -2: X=0.09050000 Y=0.73020000 Z=0.14070000
      -2: X=0.59050000 Y=0.73020000 Z=0.35930000
      -2: X=0.40950000 Y=0.26980000 Z=0.64070000
Au         NPT=  781  R0=.000005000 RMT= 2.48        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  -3: X=0.38900000 Y=0.38900000 Z=0.38900000
          MULT= 8          ISPLIT= 4
      -3: X=0.61100000 Y=0.61100000 Z=0.61100000
      -3: X=0.11100000 Y=0.61100000 Z=0.88900000
      -3: X=0.88900000 Y=0.38900000 Z=0.11100000
      -3: X=0.88900000 Y=0.11100000 Z=0.61100000
      -3: X=0.11100000 Y=0.88900000 Z=0.38900000
      -3: X=0.61100000 Y=0.88900000 Z=0.11100000
      -3: X=0.38900000 Y=0.11100000 Z=0.88900000
Ge         NPT=  781  R0=.000050000 RMT= 2.25        Z:  32.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503