H   LATTICE,NONEQUIV.ATOMS   5  185 P63cm                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.376917 20.376917 21.064777 90.000000 90.000000120.000000                   
ATOM  -1: X=0.32840000 Y=0.00000000 Z=0.15570000
          MULT= 6          ISPLIT= 8
      -1: X=0.32840000 Y=0.32840000 Z=0.65570000
      -1: X=0.00000000 Y=0.32840000 Z=0.15570000
      -1: X=0.67160000 Y=0.00000000 Z=0.65570000
      -1: X=0.67160000 Y=0.67160000 Z=0.15570000
      -1: X=0.00000000 Y=0.67160000 Z=0.65570000
As         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.36690000 Y=0.00000000 Z=0.48957000
          MULT= 6          ISPLIT= 8
      -2: X=0.36690000 Y=0.36690000 Z=0.98957000
      -2: X=0.00000000 Y=0.36690000 Z=0.48957000
      -2: X=0.63310000 Y=0.00000000 Z=0.98957000
      -2: X=0.63310000 Y=0.63310000 Z=0.48957000
      -2: X=0.00000000 Y=0.63310000 Z=0.98957000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.70430000 Y=0.00000000 Z=0.32113000
          MULT= 6          ISPLIT= 8
      -3: X=0.70430000 Y=0.70430000 Z=0.82113000
      -3: X=0.00000000 Y=0.70430000 Z=0.32113000
      -3: X=0.29570000 Y=0.00000000 Z=0.82113000
      -3: X=0.29570000 Y=0.29570000 Z=0.32113000
      -3: X=0.00000000 Y=0.29570000 Z=0.82113000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.07840000
          MULT= 2          ISPLIT= 4
      -4: X=0.00000000 Y=0.00000000 Z=0.57840000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.33333333 Y=0.66666667 Z=0.20420000
          MULT= 4          ISPLIT= 4
      -5: X=0.66666666 Y=0.33333333 Z=0.70420000
      -5: X=0.66666667 Y=0.33333333 Z=0.20420000
      -5: X=0.33333334 Y=0.66666667 Z=0.70420000
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