CXZ LATTICE,NONEQUIV.ATOMS   4    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
  9.863048 11.203241  8.880768 90.000000 90.000000 71.441000                   
ATOM  -1: X=0.78990000 Y=0.26540000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.21010000 Y=0.73460000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 1.71        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.65900000 Y=0.06300000 Z=0.32600000
          MULT= 2          ISPLIT= 8
      -2: X=0.34100000 Y=0.93700000 Z=0.32600000
O          NPT=  781  R0=.000100000 RMT= 1.55        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=0.92400000 Y=0.30600000 Z=0.32700000
          MULT= 2          ISPLIT= 8
      -3: X=0.07600000 Y=0.69400000 Z=0.32700000
O          NPT=  781  R0=.000100000 RMT= 1.55        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  -4: X=0.00000000 Y=0.50000000 Z=0.78200000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000