H   LATTICE,NONEQUIV.ATOMS   3  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.043105 18.043105  8.498098 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
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.17000000 Y=0.15000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.83000000 Y=0.85000000 Z=0.75000000
      -2: X=0.02000000 Y=0.17000000 Z=0.75000000
      -2: X=0.98000000 Y=0.83000000 Z=0.25000000
      -2: X=0.85000000 Y=0.02000000 Z=0.25000000
      -2: X=0.15000000 Y=0.98000000 Z=0.75000000
Mo         NPT=  781  R0=.000010000 RMT= 2.50        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=0.05000000 Y=0.36000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.95000000 Y=0.64000000 Z=0.75000000
      -3: X=0.69000000 Y=0.05000000 Z=0.75000000
      -3: X=0.31000000 Y=0.95000000 Z=0.25000000
      -3: X=0.64000000 Y=0.69000000 Z=0.25000000
      -3: X=0.36000000 Y=0.31000000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000