B   LATTICE,NONEQUIV.ATOMS   4  197 I23                                        
MODE OF CALC=RELA unit=bohr                                                    
 15.928502 15.928502 15.928502 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.35700000 Y=0.35700000 Z=0.35700000
          MULT= 4          ISPLIT= 4
      -1: X=0.64300000 Y=0.64300000 Z=0.35700000
      -1: X=0.35700000 Y=0.64300000 Z=0.64300000
      -1: X=0.64300000 Y=0.35700000 Z=0.64300000
Nb         NPT=  781  R0=.000010000 RMT= 1.87        Z:  41.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.11300000 Y=0.13000000 Z=0.37900000
          MULT=12          ISPLIT= 8
      -2: X=0.88700000 Y=0.87000000 Z=0.37900000
      -2: X=0.11300000 Y=0.87000000 Z=0.62100000
      -2: X=0.37900000 Y=0.11300000 Z=0.13000000
      -2: X=0.88700000 Y=0.13000000 Z=0.62100000
      -2: X=0.62100000 Y=0.88700000 Z=0.13000000
      -2: X=0.37900000 Y=0.88700000 Z=0.87000000
      -2: X=0.62100000 Y=0.11300000 Z=0.87000000
      -2: X=0.13000000 Y=0.37900000 Z=0.11300000
      -2: X=0.87000000 Y=0.62100000 Z=0.11300000
      -2: X=0.13000000 Y=0.62100000 Z=0.88700000
      -2: X=0.87000000 Y=0.37900000 Z=0.88700000
Li         NPT=  781  R0=.000100000 RMT= 1.70        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=0.11100000 Y=0.11100000 Z=0.11100000
          MULT= 4          ISPLIT= 4
      -3: X=0.88900000 Y=0.88900000 Z=0.11100000
      -3: X=0.11100000 Y=0.88900000 Z=0.88900000
      -3: X=0.88900000 Y=0.11100000 Z=0.88900000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.13300000 Y=0.36800000 Z=0.37700000
          MULT=12          ISPLIT= 8
      -4: X=0.86700000 Y=0.63200000 Z=0.37700000
      -4: X=0.13300000 Y=0.63200000 Z=0.62300000
      -4: X=0.37700000 Y=0.13300000 Z=0.36800000
      -4: X=0.86700000 Y=0.36800000 Z=0.62300000
      -4: X=0.62300000 Y=0.86700000 Z=0.36800000
      -4: X=0.37700000 Y=0.86700000 Z=0.63200000
      -4: X=0.62300000 Y=0.13300000 Z=0.63200000
      -4: X=0.36800000 Y=0.37700000 Z=0.13300000
      -4: X=0.63200000 Y=0.62300000 Z=0.13300000
      -4: X=0.36800000 Y=0.62300000 Z=0.86700000
      -4: X=0.63200000 Y=0.37700000 Z=0.86700000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000