B   LATTICE,NONEQUIV.ATOMS   3  141 I41/amd                                    
MODE OF CALC=RELA unit=bohr                                                    
  7.640163  7.640163 16.304557 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.75000000 Z=0.12500000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.25000000 Z=0.87500000
Ti         NPT=  781  R0=.000050000 RMT= 2.00        Z:  22.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.25000000 Z=0.11120000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.88880000
      -2: X=0.00000000 Y=0.75000000 Z=0.36120000
      -2: X=0.50000000 Y=0.75000000 Z=0.13880000
O          NPT=  781  R0=.000100000 RMT= 1.81        Z:   8.00000              
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=0.25000000 Z=0.37500000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.75000000 Z=0.62500000
Li         NPT=  781  R0=.000100000 RMT= 1.71        Z:   3.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000