P   LATTICE,NONEQUIV.ATOMS   4   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.565794 19.118359 22.085229 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.73600000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.00000000 Z=0.26400000
      -1: X=0.75000000 Y=0.50000000 Z=0.23600000
      -1: X=0.25000000 Y=0.50000000 Z=0.76400000
Ge         NPT=  781  R0=.000050000 RMT= 2.21        Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.28730000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.71270000 Y=0.75000000 Z=0.75000000
      -2: X=0.78730000 Y=0.25000000 Z=0.75000000
      -2: X=0.21270000 Y=0.75000000 Z=0.25000000
Ge         NPT=  781  R0=.000050000 RMT= 2.21        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.07810000 Y=0.08520000 Z=0.12820000
          MULT= 8          ISPLIT= 8
      -3: X=0.92190000 Y=0.91480000 Z=0.87180000
      -3: X=0.57810000 Y=0.08520000 Z=0.87180000
      -3: X=0.42190000 Y=0.91480000 Z=0.12820000
      -3: X=0.92190000 Y=0.58520000 Z=0.62820000
      -3: X=0.07810000 Y=0.41480000 Z=0.37180000
      -3: X=0.42190000 Y=0.58520000 Z=0.37180000
      -3: X=0.57810000 Y=0.41480000 Z=0.62820000
As         NPT=  781  R0=.000050000 RMT= 2.29        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.07120000 Y=0.15650000 Z=0.60910000
          MULT= 8          ISPLIT= 8
      -4: X=0.92880000 Y=0.84350000 Z=0.39090000
      -4: X=0.57120000 Y=0.15650000 Z=0.39090000
      -4: X=0.42880000 Y=0.84350000 Z=0.60910000
      -4: X=0.92880000 Y=0.65650000 Z=0.10910000
      -4: X=0.07120000 Y=0.34350000 Z=0.89090000
      -4: X=0.42880000 Y=0.65650000 Z=0.89090000
      -4: X=0.57120000 Y=0.34350000 Z=0.10910000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000