CXZ LATTICE,NONEQUIV.ATOMS   5   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.923383  9.382301  5.409530 90.000000 90.000000 80.646000                   
ATOM  -1: X=0.74910000 Y=0.72100000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.25090000 Y=0.27900000 Z=0.00000000
Mo         NPT=  781  R0=.000010000 RMT= 2.03        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=0.88100000 Y=0.36700000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.11900000 Y=0.63300000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.83        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=0.64000000 Y=0.11500000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.36000000 Y=0.88500000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.83        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  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Li         NPT=  781  R0=.000100000 RMT= 1.72        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Li         NPT=  781  R0=.000100000 RMT= 1.72        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000