B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.370963  9.370963 19.851573 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.62500000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.75000000 Z=0.37500000
Y          NPT=  781  R0=.000010000 RMT= 2.09        Z:  39.00000              
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=0.25000000 Z=0.12500000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.75000000 Z=0.87500000
Li         NPT=  781  R0=.000100000 RMT= 1.52        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  -3: X=0.27940000 Y=0.08130000 Z=0.04000000
          MULT= 8          ISPLIT= 8
      -3: X=0.72060000 Y=0.91870000 Z=0.96000000
      -3: X=0.16870000 Y=0.02940000 Z=0.79000000
      -3: X=0.33130000 Y=0.47060000 Z=0.71000000
      -3: X=0.72060000 Y=0.41870000 Z=0.04000000
      -3: X=0.27940000 Y=0.58130000 Z=0.96000000
      -3: X=0.33130000 Y=0.97060000 Z=0.29000000
      -3: X=0.16870000 Y=0.52940000 Z=0.21000000
F          NPT=  781  R0=.000100000 RMT= 1.95        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000