B   LATTICE,NONEQUIV.ATOMS   5  197 I23                                        
MODE OF CALC=RELA unit=bohr                                                    
 19.172216 19.172216 19.172216 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18158000 Y=0.32409000 Z=0.48433000
          MULT=12          ISPLIT= 8
      -1: X=0.81842000 Y=0.67591000 Z=0.48433000
      -1: X=0.18158000 Y=0.67591000 Z=0.51567000
      -1: X=0.48433000 Y=0.18158000 Z=0.32409000
      -1: X=0.81842000 Y=0.32409000 Z=0.51567000
      -1: X=0.51567000 Y=0.81842000 Z=0.32409000
      -1: X=0.48433000 Y=0.81842000 Z=0.67591000
      -1: X=0.51567000 Y=0.18158000 Z=0.67591000
      -1: X=0.32409000 Y=0.48433000 Z=0.18158000
      -1: X=0.67591000 Y=0.51567000 Z=0.18158000
      -1: X=0.32409000 Y=0.51567000 Z=0.81842000
      -1: X=0.67591000 Y=0.48433000 Z=0.81842000
Bi         NPT=  781  R0=.000005000 RMT= 2.14        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Ge         NPT=  781  R0=.000050000 RMT= 1.69        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  -3: X=0.01450000 Y=0.24770000 Z=0.36550000
          MULT=12          ISPLIT= 8
      -3: X=0.98550000 Y=0.75230000 Z=0.36550000
      -3: X=0.01450000 Y=0.75230000 Z=0.63450000
      -3: X=0.36550000 Y=0.01450000 Z=0.24770000
      -3: X=0.98550000 Y=0.24770000 Z=0.63450000
      -3: X=0.63450000 Y=0.98550000 Z=0.24770000
      -3: X=0.36550000 Y=0.98550000 Z=0.75230000
      -3: X=0.63450000 Y=0.01450000 Z=0.75230000
      -3: X=0.24770000 Y=0.36550000 Z=0.01450000
      -3: X=0.75230000 Y=0.63450000 Z=0.01450000
      -3: X=0.24770000 Y=0.63450000 Z=0.98550000
      -3: X=0.75230000 Y=0.36550000 Z=0.98550000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.30190000 Y=0.30190000 Z=0.30190000
          MULT= 4          ISPLIT= 4
      -4: X=0.69810000 Y=0.69810000 Z=0.30190000
      -4: X=0.30190000 Y=0.69810000 Z=0.69810000
      -4: X=0.69810000 Y=0.30190000 Z=0.69810000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -5: X=0.09770000 Y=0.09770000 Z=0.09770000
          MULT= 4          ISPLIT= 4
      -5: X=0.90230000 Y=0.90230000 Z=0.09770000
      -5: X=0.09770000 Y=0.90230000 Z=0.90230000
      -5: X=0.90230000 Y=0.09770000 Z=0.90230000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503