H   LATTICE,NONEQUIV.ATOMS   5  182 P6322                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.800216 20.800216 22.476403 90.000000 90.000000120.000000                   
ATOM  -1: X=0.51570000 Y=0.19150000 Z=0.15100000
          MULT=12          ISPLIT= 8
      -1: X=0.32420000 Y=0.51570000 Z=0.65100000
      -1: X=0.80850000 Y=0.48430000 Z=0.34900000
      -1: X=0.80850000 Y=0.32420000 Z=0.15100000
      -1: X=0.32420000 Y=0.80850000 Z=0.84900000
      -1: X=0.48430000 Y=0.80850000 Z=0.65100000
      -1: X=0.51570000 Y=0.32420000 Z=0.34900000
      -1: X=0.67580000 Y=0.48430000 Z=0.15100000
      -1: X=0.19150000 Y=0.51570000 Z=0.84900000
      -1: X=0.19150000 Y=0.67580000 Z=0.65100000
      -1: X=0.67580000 Y=0.19150000 Z=0.34900000
      -1: X=0.48430000 Y=0.67580000 Z=0.84900000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.37040000 Y=0.02200000 Z=0.34200000
          MULT=12          ISPLIT= 8
      -2: X=0.34840000 Y=0.37040000 Z=0.84200000
      -2: X=0.97800000 Y=0.62960000 Z=0.15800000
      -2: X=0.97800000 Y=0.34840000 Z=0.34200000
      -2: X=0.34840000 Y=0.97800000 Z=0.65800000
      -2: X=0.62960000 Y=0.97800000 Z=0.84200000
      -2: X=0.37040000 Y=0.34840000 Z=0.15800000
      -2: X=0.65160000 Y=0.62960000 Z=0.34200000
      -2: X=0.02200000 Y=0.37040000 Z=0.65800000
      -2: X=0.02200000 Y=0.65160000 Z=0.84200000
      -2: X=0.65160000 Y=0.02200000 Z=0.15800000
      -2: X=0.62960000 Y=0.65160000 Z=0.65800000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
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=0.04770000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666666 Y=0.33333333 Z=0.54770000
      -3: X=0.33333333 Y=0.66666667 Z=0.45230000
      -3: X=0.66666666 Y=0.33333333 Z=0.95230000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.28130000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -4: X=0.28130000 Y=0.28130000 Z=0.50000000
      -4: X=0.00000000 Y=0.71870000 Z=0.50000000
      -4: X=0.00000000 Y=0.28130000 Z=0.00000000
      -4: X=0.71870000 Y=0.00000000 Z=0.50000000
      -4: X=0.71870000 Y=0.71870000 Z=0.00000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -5: X=0.00000000 Y=0.00000000 Z=0.75000000
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