CXZ LATTICE,NONEQUIV.ATOMS   4   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.624514 18.500230 13.844134 90.000000 90.000000 59.676000                   
ATOM  -1: X=0.70469000 Y=0.16662000 Z=0.05604000
          MULT= 4          ISPLIT= 8
      -1: X=0.29531000 Y=0.83338000 Z=0.94396000
      -1: X=0.29531000 Y=0.33338000 Z=0.05604000
      -1: X=0.70469000 Y=0.66662000 Z=0.94396000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
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=0.07864000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.92136000
Mo         NPT=  781  R0=.000010000 RMT= 1.72        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=0.98402000 Y=0.44153000 Z=0.25562000
          MULT= 4          ISPLIT= 8
      -3: X=0.01598000 Y=0.55847000 Z=0.74438000
      -3: X=0.01598000 Y=0.05847000 Z=0.25562000
      -3: X=0.98402000 Y=0.94153000 Z=0.74438000
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=0.64560000 Y=0.17570000 Z=0.44450000
          MULT= 4          ISPLIT= 8
      -4: X=0.35440000 Y=0.82430000 Z=0.55550000
      -4: X=0.35440000 Y=0.32430000 Z=0.44450000
      -4: X=0.64560000 Y=0.67570000 Z=0.55550000
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