F   LATTICE,NONEQUIV.ATOMS   4  227 Fd-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 28.155030 28.155030 28.155030 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -1: X=0.00000000 Y=0.25000000 Z=0.25000000
      -1: X=0.25000000 Y=0.25000000 Z=0.00000000
      -1: X=0.25000000 Y=0.00000000 Z=0.25000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -2: X=0.29200000 Y=0.29200000 Z=0.29200000
          MULT= 8          ISPLIT= 4
      -2: X=0.70800000 Y=0.70800000 Z=0.70800000
      -2: X=0.70800000 Y=0.54200000 Z=0.54200000
      -2: X=0.29200000 Y=0.95800000 Z=0.95800000
      -2: X=0.95800000 Y=0.95800000 Z=0.29200000
      -2: X=0.54200000 Y=0.54200000 Z=0.70800000
      -2: X=0.54200000 Y=0.70800000 Z=0.54200000
      -2: X=0.95800000 Y=0.29200000 Z=0.95800000
Ge         NPT=  781  R0=.000050000 RMT= 2.21        Z:  32.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.20710000 Y=0.20710000 Z=0.20710000
          MULT= 8          ISPLIT= 4
      -3: X=0.79290000 Y=0.79290000 Z=0.79290000
      -3: X=0.79290000 Y=0.45710000 Z=0.45710000
      -3: X=0.20710000 Y=0.04290000 Z=0.04290000
      -3: X=0.04290000 Y=0.04290000 Z=0.20710000
      -3: X=0.45710000 Y=0.45710000 Z=0.79290000
      -3: X=0.45710000 Y=0.79290000 Z=0.45710000
      -3: X=0.04290000 Y=0.20710000 Z=0.04290000
S          NPT=  781  R0=.000100000 RMT= 1.90        Z:  16.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -4: X=0.45190000 Y=0.12500000 Z=0.12500000
          MULT=12          ISPLIT= 8
      -4: X=0.54810000 Y=0.87500000 Z=0.87500000
      -4: X=0.87500000 Y=0.70190000 Z=0.37500000
      -4: X=0.12500000 Y=0.79810000 Z=0.12500000
      -4: X=0.12500000 Y=0.45190000 Z=0.12500000
      -4: X=0.87500000 Y=0.54810000 Z=0.87500000
      -4: X=0.79810000 Y=0.12500000 Z=0.12500000
      -4: X=0.70190000 Y=0.37500000 Z=0.87500000
      -4: X=0.37500000 Y=0.87500000 Z=0.70190000
      -4: X=0.12500000 Y=0.12500000 Z=0.79810000
      -4: X=0.12500000 Y=0.12500000 Z=0.45190000
      -4: X=0.87500000 Y=0.87500000 Z=0.54810000
S          NPT=  781  R0=.000100000 RMT= 1.90        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000