CXZ LATTICE,NONEQUIV.ATOMS   4    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 28.693602 14.210741  7.415285 90.000000 90.000000 74.500000                   
ATOM  -1: X=0.99950000 Y=0.29000000 Z=0.03390000
          MULT= 2          ISPLIT= 8
      -1: X=0.00050000 Y=0.71000000 Z=0.03390000
Nb         NPT=  781  R0=.000010000 RMT= 1.79        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=0.99990000 Y=0.28980000 Z=0.49640000
          MULT= 2          ISPLIT= 8
      -2: X=0.00010000 Y=0.71020000 Z=0.49640000
O          NPT=  781  R0=.000100000 RMT= 1.62        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=0.87130000 Y=0.06820000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.12870000 Y=0.93180000 Z=0.00000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.84510000 Y=0.58540000 Z=0.00070000
          MULT= 2          ISPLIT= 8
      -4: X=0.15490000 Y=0.41460000 Z=0.00070000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000