H   LATTICE,NONEQUIV.ATOMS   7  147 P-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 10.748762 10.748762 15.279381 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.26210000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.73790000
P          NPT=  781  R0=.000100000 RMT= 1.52        Z:  15.00000              
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=0.05180000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.94820000
O          NPT=  781  R0=.000100000 RMT= 1.68        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  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
O          NPT=  781  R0=.000100000 RMT= 1.68        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  -4: X=0.05710000 Y=0.36520000 Z=0.32640000
          MULT= 6          ISPLIT= 8
      -4: X=0.94290000 Y=0.63480000 Z=0.67360000
      -4: X=0.63480000 Y=0.69190000 Z=0.32640000
      -4: X=0.36520000 Y=0.30810000 Z=0.67360000
      -4: X=0.30810000 Y=0.94290000 Z=0.32640000
      -4: X=0.69190000 Y=0.05710000 Z=0.67360000
N          NPT=  781  R0=.000100000 RMT= 1.66        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.40900000 Y=0.36400000 Z=0.40910000
          MULT= 6          ISPLIT= 8
      -5: X=0.59100000 Y=0.63600000 Z=0.59090000
      -5: X=0.63600000 Y=0.04500000 Z=0.40910000
      -5: X=0.36400000 Y=0.95500000 Z=0.59090000
      -5: X=0.95500000 Y=0.59100000 Z=0.40910000
      -5: X=0.04500000 Y=0.40900000 Z=0.59090000
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  -6: X=0.29300000 Y=0.00200000 Z=0.08870000
          MULT= 6          ISPLIT= 8
      -6: X=0.70700000 Y=0.99800000 Z=0.91130000
      -6: X=0.99800000 Y=0.29100000 Z=0.08870000
      -6: X=0.00200000 Y=0.70900000 Z=0.91130000
      -6: X=0.70900000 Y=0.70700000 Z=0.08870000
      -6: X=0.29100000 Y=0.29300000 Z=0.91130000
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  -7: X=0.00000000 Y=0.00000000 Z=0.27200000
          MULT= 2          ISPLIT= 4
      -7: X=0.00000000 Y=0.00000000 Z=0.72800000
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