H   LATTICE,NONEQUIV.ATOMS   3  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.667385 16.667385  8.390384 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.75000000
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=0.18000000 Y=0.15500000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.82000000 Y=0.84500000 Z=0.75000000
      -2: X=0.02500000 Y=0.18000000 Z=0.75000000
      -2: X=0.97500000 Y=0.82000000 Z=0.25000000
      -2: X=0.84500000 Y=0.02500000 Z=0.25000000
      -2: X=0.15500000 Y=0.97500000 Z=0.75000000
Mo         NPT=  781  R0=.000010000 RMT= 2.42        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=0.05600000 Y=0.34600000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.94400000 Y=0.65400000 Z=0.75000000
      -3: X=0.71000000 Y=0.05600000 Z=0.75000000
      -3: X=0.29000000 Y=0.94400000 Z=0.25000000
      -3: X=0.65400000 Y=0.71000000 Z=0.25000000
      -3: X=0.34600000 Y=0.29000000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.11        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000