B   LATTICE,NONEQUIV.ATOMS   3   72 Ibam                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.275996 19.804330 10.208301 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 2.05        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  -2: X=0.13200000 Y=0.34700000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.86800000 Y=0.65300000 Z=0.00000000
      -2: X=0.86800000 Y=0.34700000 Z=0.50000000
      -2: X=0.13200000 Y=0.65300000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.19700000 Y=0.09200000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.80300000 Y=0.90800000 Z=0.00000000
      -3: X=0.80300000 Y=0.09200000 Z=0.50000000
      -3: X=0.19700000 Y=0.90800000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.77        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000