B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.017438 10.017438 21.389810 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
Bi         NPT=  781  R0=.000005000 RMT= 2.40        Z:  83.00000              
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= 1.55        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=0.27400000 Y=0.09800000 Z=0.04600000
          MULT= 8          ISPLIT= 8
      -3: X=0.72600000 Y=0.90200000 Z=0.95400000
      -3: X=0.15200000 Y=0.02400000 Z=0.79600000
      -3: X=0.34800000 Y=0.47600000 Z=0.70400000
      -3: X=0.72600000 Y=0.40200000 Z=0.04600000
      -3: X=0.27400000 Y=0.59800000 Z=0.95400000
      -3: X=0.34800000 Y=0.97600000 Z=0.29600000
      -3: X=0.15200000 Y=0.52400000 Z=0.20400000
F          NPT=  781  R0=.000100000 RMT= 1.99        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000