P   LATTICE,NONEQUIV.ATOMS   5  223 Pm-3n                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.406586 20.406586 20.406586 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 2
       1: X=0.50000000 Y=0.50000000 Z=0.50000000
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=0.50000000
          MULT= 6          ISPLIT=-2
      -2: X=0.75000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.75000000 Z=0.00000000
      -2: X=0.50000000 Y=0.25000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
      -2: X=0.00000000 Y=0.50000000 Z=0.25000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
ATOM  -3: X=0.25000000 Y=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -3: X=0.75000000 Y=0.50000000 Z=0.00000000
      -3: X=0.00000000 Y=0.75000000 Z=0.50000000
      -3: X=0.00000000 Y=0.25000000 Z=0.50000000
      -3: X=0.50000000 Y=0.00000000 Z=0.75000000
      -3: X=0.50000000 Y=0.00000000 Z=0.25000000
Au         NPT=  781  R0=.000005000 RMT= 2.47        Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
ATOM  -4: X=0.18310000 Y=0.18310000 Z=0.18310000
          MULT=16          ISPLIT= 4
      -4: X=0.81690000 Y=0.81690000 Z=0.81690000
      -4: X=0.31690000 Y=0.68310000 Z=0.68310000
      -4: X=0.68310000 Y=0.31690000 Z=0.31690000
      -4: X=0.18310000 Y=0.81690000 Z=0.81690000
      -4: X=0.81690000 Y=0.18310000 Z=0.18310000
      -4: X=0.81690000 Y=0.81690000 Z=0.18310000
      -4: X=0.18310000 Y=0.18310000 Z=0.81690000
      -4: X=0.68310000 Y=0.68310000 Z=0.31690000
      -4: X=0.31690000 Y=0.31690000 Z=0.68310000
      -4: X=0.68310000 Y=0.31690000 Z=0.68310000
      -4: X=0.31690000 Y=0.68310000 Z=0.31690000
      -4: X=0.81690000 Y=0.18310000 Z=0.81690000
      -4: X=0.18310000 Y=0.81690000 Z=0.18310000
      -4: X=0.31690000 Y=0.31690000 Z=0.31690000
      -4: X=0.68310000 Y=0.68310000 Z=0.68310000
Ge         NPT=  781  R0=.000050000 RMT= 2.24        Z:  32.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -5: X=0.00000000 Y=0.11780000 Z=0.30910000
          MULT=24          ISPLIT= 8
      -5: X=0.00000000 Y=0.88220000 Z=0.69090000
      -5: X=0.38220000 Y=0.50000000 Z=0.80910000
      -5: X=0.61780000 Y=0.50000000 Z=0.19090000
      -5: X=0.30910000 Y=0.00000000 Z=0.11780000
      -5: X=0.69090000 Y=0.00000000 Z=0.88220000
      -5: X=0.00000000 Y=0.88220000 Z=0.30910000
      -5: X=0.00000000 Y=0.11780000 Z=0.69090000
      -5: X=0.50000000 Y=0.80910000 Z=0.61780000
      -5: X=0.50000000 Y=0.19090000 Z=0.38220000
      -5: X=0.61780000 Y=0.50000000 Z=0.80910000
      -5: X=0.38220000 Y=0.50000000 Z=0.19090000
      -5: X=0.69090000 Y=0.00000000 Z=0.11780000
      -5: X=0.30910000 Y=0.00000000 Z=0.88220000
      -5: X=0.50000000 Y=0.19090000 Z=0.61780000
      -5: X=0.50000000 Y=0.80910000 Z=0.38220000
      -5: X=0.80910000 Y=0.38220000 Z=0.50000000
      -5: X=0.19090000 Y=0.61780000 Z=0.50000000
      -5: X=0.11780000 Y=0.30910000 Z=0.00000000
      -5: X=0.88220000 Y=0.69090000 Z=0.00000000
      -5: X=0.80910000 Y=0.61780000 Z=0.50000000
      -5: X=0.19090000 Y=0.38220000 Z=0.50000000
      -5: X=0.88220000 Y=0.30910000 Z=0.00000000
      -5: X=0.11780000 Y=0.69090000 Z=0.00000000
Ge         NPT=  781  R0=.000050000 RMT= 2.24        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000