B   LATTICE,NONEQUIV.ATOMS   5  121 I-42m                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.458079  9.458079 19.751418 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=-2
Zr         NPT=  781  R0=.000010000 RMT= 2.01        Z:  40.00000              
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=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
Zr         NPT=  781  R0=.000010000 RMT= 2.01        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Ge         NPT=  781  R0=.000050000 RMT= 1.78        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=0.20040000 Y=0.20040000 Z=0.34100000
          MULT= 4          ISPLIT= 8
      -4: X=0.20040000 Y=0.79960000 Z=0.65900000
      -4: X=0.79960000 Y=0.79960000 Z=0.34100000
      -4: X=0.79960000 Y=0.20040000 Z=0.65900000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.21700000 Y=0.21700000 Z=0.09040000
          MULT= 4          ISPLIT= 8
      -5: X=0.21700000 Y=0.78300000 Z=0.90960000
      -5: X=0.78300000 Y=0.78300000 Z=0.09040000
      -5: X=0.78300000 Y=0.21700000 Z=0.90960000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000