CXZ LATTICE,NONEQUIV.ATOMS   8   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.125713 14.141766 10.804887 90.000000 90.000000 71.966000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.21830000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.50000000 Z=0.78170000
Mo         NPT=  781  R0=.000010000 RMT= 1.88        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  -2: X=0.69364000 Y=0.13973000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.30636000 Y=0.86027000 Z=0.00000000
Y          NPT=  781  R0=.000010000 RMT= 2.19        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.68512000 Y=0.67640000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.31488000 Y=0.32360000 Z=0.00000000
Y          NPT=  781  R0=.000010000 RMT= 2.19        Z:  39.00000              
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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Y          NPT=  781  R0=.000010000 RMT= 2.19        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.66300000 Y=0.41820000 Z=0.24560000
          MULT= 4          ISPLIT= 8
      -5: X=0.33700000 Y=0.58180000 Z=0.75440000
      -5: X=0.33700000 Y=0.58180000 Z=0.24560000
      -5: X=0.66300000 Y=0.41820000 Z=0.75440000
O          NPT=  781  R0=.000100000 RMT= 1.70        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  -6: X=0.84540000 Y=0.07550000 Z=0.25130000
          MULT= 4          ISPLIT= 8
      -6: X=0.15460000 Y=0.92450000 Z=0.74870000
      -6: X=0.15460000 Y=0.92450000 Z=0.25130000
      -6: X=0.84540000 Y=0.07550000 Z=0.74870000
O          NPT=  781  R0=.000100000 RMT= 1.70        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  -7: X=0.99980000 Y=0.29710000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00020000 Y=0.70290000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.70        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  -8: X=0.50060000 Y=0.31840000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -8: X=0.49940000 Y=0.68160000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000