B   LATTICE,NONEQUIV.ATOMS   4   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 10.843249 10.843249 16.845019 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=-2
Li         NPT=  781  R0=.000100000 RMT= 2.09        Z:   3.00000              
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
Zn         NPT=  781  R0=.000050000 RMT= 2.41        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=0.50000000 Z=0.25000000
          MULT= 1          ISPLIT=-2
P          NPT=  781  R0=.000100000 RMT= 1.87        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.21250000 Y=0.27720000 Z=0.13480000
          MULT= 4          ISPLIT= 8
      -4: X=0.27720000 Y=0.78750000 Z=0.86520000
      -4: X=0.78750000 Y=0.72280000 Z=0.13480000
      -4: X=0.72280000 Y=0.21250000 Z=0.86520000
S          NPT=  781  R0=.000100000 RMT= 1.97        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000