H   LATTICE,NONEQUIV.ATOMS   8  186 P63mc                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.947372 10.947372 19.781842 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.08580000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.58580000
Li         NPT=  781  R0=.000100000 RMT= 1.53        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.50050000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666666 Y=0.33333333 Z=0.00050000
Li         NPT=  781  R0=.000100000 RMT= 1.53        Z:   3.00000              
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=0.09331000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666666 Y=0.33333333 Z=0.59331000
In         NPT=  781  R0=.000010000 RMT= 2.12        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.81313000 Y=0.18687000 Z=0.30914000
          MULT= 6          ISPLIT= 8
      -4: X=0.62626000 Y=0.81313000 Z=0.80914000
      -4: X=0.18687000 Y=0.81313000 Z=0.80914000
      -4: X=0.81313000 Y=0.62626000 Z=0.30914000
      -4: X=0.37374000 Y=0.18687000 Z=0.30914000
      -4: X=0.18687000 Y=0.37374000 Z=0.80914000
Mo         NPT=  781  R0=.000010000 RMT= 1.99        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.51300000 Y=0.48700000 Z=0.43780000
          MULT= 6          ISPLIT= 8
      -5: X=0.02600000 Y=0.51300000 Z=0.93780000
      -5: X=0.48700000 Y=0.51300000 Z=0.93780000
      -5: X=0.51300000 Y=0.02600000 Z=0.43780000
      -5: X=0.97400000 Y=0.48700000 Z=0.43780000
      -5: X=0.48700000 Y=0.97400000 Z=0.93780000
O          NPT=  781  R0=.000100000 RMT= 1.80        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.15800000 Y=0.84200000 Z=0.20330000
          MULT= 6          ISPLIT= 8
      -6: X=0.31600000 Y=0.15800000 Z=0.70330000
      -6: X=0.84200000 Y=0.15800000 Z=0.70330000
      -6: X=0.15800000 Y=0.31600000 Z=0.20330000
      -6: X=0.68400000 Y=0.84200000 Z=0.20330000
      -6: X=0.84200000 Y=0.68400000 Z=0.70330000
O          NPT=  781  R0=.000100000 RMT= 1.80        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.40450000
          MULT= 2          ISPLIT= 4
      -7: X=0.00000000 Y=0.00000000 Z=0.90450000
O          NPT=  781  R0=.000100000 RMT= 1.80        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  -8: X=0.33333333 Y=0.66666667 Z=0.67390000
          MULT= 2          ISPLIT= 4
      -8: X=0.66666666 Y=0.33333333 Z=0.17390000
O          NPT=  781  R0=.000100000 RMT= 1.80        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000