P   LATTICE,NONEQUIV.ATOMS   6   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.638823 19.951729 18.987968 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.61560000 Y=0.15640000 Z=0.08930000
          MULT= 8          ISPLIT= 8
      -1: X=0.38440000 Y=0.84360000 Z=0.91070000
      -1: X=0.11560000 Y=0.15640000 Z=0.91070000
      -1: X=0.88440000 Y=0.84360000 Z=0.08930000
      -1: X=0.38440000 Y=0.65640000 Z=0.58930000
      -1: X=0.61560000 Y=0.34360000 Z=0.41070000
      -1: X=0.88440000 Y=0.65640000 Z=0.41070000
      -1: X=0.11560000 Y=0.34360000 Z=0.58930000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.00000000 Z=0.59230000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.00000000 Z=0.40770000
      -2: X=0.75000000 Y=0.50000000 Z=0.09230000
      -2: X=0.25000000 Y=0.50000000 Z=0.90770000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.00000000 Z=0.26820000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.00000000 Z=0.73180000
      -3: X=0.75000000 Y=0.50000000 Z=0.76820000
      -3: X=0.25000000 Y=0.50000000 Z=0.23180000
Ge         NPT=  781  R0=.000050000 RMT= 1.93        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  -4: X=0.16120000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.83880000 Y=0.75000000 Z=0.75000000
      -4: X=0.66120000 Y=0.25000000 Z=0.75000000
      -4: X=0.33880000 Y=0.75000000 Z=0.25000000
Mg         NPT=  781  R0=.000100000 RMT= 2.04        Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.02540000 Y=0.08360000 Z=0.16640000
          MULT= 8          ISPLIT= 8
      -5: X=0.97460000 Y=0.91640000 Z=0.83360000
      -5: X=0.52540000 Y=0.08360000 Z=0.83360000
      -5: X=0.47460000 Y=0.91640000 Z=0.16640000
      -5: X=0.97460000 Y=0.58360000 Z=0.66640000
      -5: X=0.02540000 Y=0.41640000 Z=0.33360000
      -5: X=0.47460000 Y=0.58360000 Z=0.33360000
      -5: X=0.52540000 Y=0.41640000 Z=0.66640000
N          NPT=  781  R0=.000100000 RMT= 1.66        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.37040000 Y=0.36310000 Z=0.13240000
          MULT= 8          ISPLIT= 8
      -6: X=0.62960000 Y=0.63690000 Z=0.86760000
      -6: X=0.87040000 Y=0.36310000 Z=0.86760000
      -6: X=0.12960000 Y=0.63690000 Z=0.13240000
      -6: X=0.62960000 Y=0.86310000 Z=0.63240000
      -6: X=0.37040000 Y=0.13690000 Z=0.36760000
      -6: X=0.12960000 Y=0.86310000 Z=0.36760000
      -6: X=0.87040000 Y=0.13690000 Z=0.63240000
N          NPT=  781  R0=.000100000 RMT= 1.66        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000