B   LATTICE,NONEQUIV.ATOMS   4  141 I41/amd                                    
MODE OF CALC=RELA unit=bohr                                                    
 20.129363 20.129363 12.804784 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.37500000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.75000000 Z=0.62500000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20600000 Y=0.12800000 Z=0.07100000
          MULT=16          ISPLIT= 8
      -2: X=0.79400000 Y=0.87200000 Z=0.92900000
      -2: X=0.12200000 Y=0.95600000 Z=0.32100000
      -2: X=0.37800000 Y=0.54400000 Z=0.17900000
      -2: X=0.79400000 Y=0.12800000 Z=0.07100000
      -2: X=0.20600000 Y=0.87200000 Z=0.92900000
      -2: X=0.79400000 Y=0.37200000 Z=0.07100000
      -2: X=0.20600000 Y=0.62800000 Z=0.92900000
      -2: X=0.12200000 Y=0.54400000 Z=0.32100000
      -2: X=0.37800000 Y=0.95600000 Z=0.17900000
      -2: X=0.37800000 Y=0.04400000 Z=0.82100000
      -2: X=0.12200000 Y=0.45600000 Z=0.67900000
      -2: X=0.20600000 Y=0.37200000 Z=0.07100000
      -2: X=0.79400000 Y=0.62800000 Z=0.92900000
      -2: X=0.37800000 Y=0.45600000 Z=0.82100000
      -2: X=0.12200000 Y=0.04400000 Z=0.67900000
Zn         NPT=  781  R0=.000050000 RMT= 2.42        Z:  30.00000              
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= 4          ISPLIT= 8
      -3: X=0.25000000 Y=0.75000000 Z=0.25000000
      -3: X=0.00000000 Y=0.50000000 Z=0.00000000
      -3: X=0.25000000 Y=0.25000000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 2.42        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.75000000 Z=0.12500000
          MULT= 2          ISPLIT=-2
      -4: X=0.00000000 Y=0.25000000 Z=0.87500000
Zn         NPT=  781  R0=.000050000 RMT= 2.42        Z:  30.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000