CXZ LATTICE,NONEQUIV.ATOMS   3    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 17.137926 14.583017  6.235340 90.000000 90.000000 60.640000                   
ATOM  -1: X=0.66000000 Y=0.30000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -1: X=0.34000000 Y=0.70000000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT= 2.29        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=0.91000000 Y=0.39000000 Z=0.49000000
          MULT= 2          ISPLIT= 8
      -2: X=0.09000000 Y=0.61000000 Z=0.49000000
As         NPT=  781  R0=.000050000 RMT= 2.20        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.86000000 Y=0.03000000 Z=0.07000000
          MULT= 2          ISPLIT= 8
      -3: X=0.14000000 Y=0.97000000 Z=0.07000000
As         NPT=  781  R0=.000050000 RMT= 2.20        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000