CXZ LATTICE,NONEQUIV.ATOMS   4    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 26.140582 13.271547  7.384861 90.000000 90.000000 74.974000                   
ATOM  -1: X=0.99970000 Y=0.27630000 Z=0.00050000
          MULT= 2          ISPLIT= 8
      -1: X=0.00030000 Y=0.72370000 Z=0.00050000
Nb         NPT=  781  R0=.000010000 RMT= 1.77        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=0.50110000 Y=0.27400000 Z=0.04100000
          MULT= 2          ISPLIT= 8
      -2: X=0.49890000 Y=0.72600000 Z=0.04100000
O          NPT=  781  R0=.000100000 RMT= 1.60        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=0.86400000 Y=0.06850000 Z=0.05350000
          MULT= 2          ISPLIT= 8
      -3: X=0.13600000 Y=0.93150000 Z=0.05350000
Br         NPT=  781  R0=.000050000 RMT= 2.41        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.84860000 Y=0.57730000 Z=0.05140000
          MULT= 2          ISPLIT= 8
      -4: X=0.15140000 Y=0.42270000 Z=0.05140000
Br         NPT=  781  R0=.000050000 RMT= 2.41        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000