CXZ LATTICE,NONEQUIV.ATOMS   4   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.221247 18.339792 13.368112 90.000000 90.000000 58.266000                   
ATOM  -1: X=0.70961000 Y=0.16747000 Z=0.05441000
          MULT= 4          ISPLIT= 8
      -1: X=0.29039000 Y=0.83253000 Z=0.94559000
      -1: X=0.29039000 Y=0.33253000 Z=0.05441000
      -1: X=0.70961000 Y=0.66747000 Z=0.94559000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.25000000 Z=0.07444000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.92556000
Mo         NPT=  781  R0=.000010000 RMT= 1.73        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.98262000 Y=0.44351000 Z=0.25988000
          MULT= 4          ISPLIT= 8
      -3: X=0.01738000 Y=0.55649000 Z=0.74012000
      -3: X=0.01738000 Y=0.05649000 Z=0.25988000
      -3: X=0.98262000 Y=0.94351000 Z=0.74012000
S          NPT=  781  R0=.000100000 RMT= 1.92        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.65135000 Y=0.16990000 Z=0.43529000
          MULT= 4          ISPLIT= 8
      -4: X=0.34865000 Y=0.83010000 Z=0.56471000
      -4: X=0.34865000 Y=0.33010000 Z=0.43529000
      -4: X=0.65135000 Y=0.66990000 Z=0.56471000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000