H   LATTICE,NONEQUIV.ATOMS   5  164 P-3m1                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.489870 10.489870 15.187729 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
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=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Al         NPT=  781  R0=.000100000 RMT= 1.77        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.29599000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.70401000
Mo         NPT=  781  R0=.000010000 RMT= 1.70        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  -4: X=0.33333333 Y=0.66666667 Z=0.08180000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.91820000
O          NPT=  781  R0=.000100000 RMT= 1.54        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  -5: X=0.15850000 Y=0.84150000 Z=0.36230000
          MULT= 6          ISPLIT= 8
      -5: X=0.84150000 Y=0.15850000 Z=0.63770000
      -5: X=0.15850000 Y=0.31700000 Z=0.36230000
      -5: X=0.84150000 Y=0.68300000 Z=0.63770000
      -5: X=0.68300000 Y=0.84150000 Z=0.36230000
      -5: X=0.31700000 Y=0.15850000 Z=0.63770000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000