P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.222079 12.423060 14.080349 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.16700000 Y=0.25000000 Z=0.27500000
          MULT= 4          ISPLIT= 8
      -1: X=0.83300000 Y=0.75000000 Z=0.72500000
      -1: X=0.66700000 Y=0.25000000 Z=0.22500000
      -1: X=0.33300000 Y=0.75000000 Z=0.77500000
Ti         NPT=  781  R0=.000050000 RMT= 1.67        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
Li         NPT=  781  R0=.000100000 RMT= 1.70        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=0.37400000 Y=0.25000000 Z=0.87000000
          MULT= 4          ISPLIT= 8
      -3: X=0.62600000 Y=0.75000000 Z=0.13000000
      -3: X=0.87400000 Y=0.25000000 Z=0.63000000
      -3: X=0.12600000 Y=0.75000000 Z=0.37000000
As         NPT=  781  R0=.000050000 RMT= 1.65        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.38300000 Y=0.25000000 Z=0.34100000
          MULT= 4          ISPLIT= 8
      -4: X=0.61700000 Y=0.75000000 Z=0.65900000
      -4: X=0.88300000 Y=0.25000000 Z=0.15900000
      -4: X=0.11700000 Y=0.75000000 Z=0.84100000
O          NPT=  781  R0=.000100000 RMT= 1.49        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.19400000 Y=0.25000000 Z=0.00200000
          MULT= 4          ISPLIT= 8
      -5: X=0.80600000 Y=0.75000000 Z=0.99800000
      -5: X=0.69400000 Y=0.25000000 Z=0.49800000
      -5: X=0.30600000 Y=0.75000000 Z=0.50200000
O          NPT=  781  R0=.000100000 RMT= 1.49        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.06300000 Y=0.25000000 Z=0.51000000
          MULT= 4          ISPLIT= 8
      -6: X=0.93700000 Y=0.75000000 Z=0.49000000
      -6: X=0.56300000 Y=0.25000000 Z=0.99000000
      -6: X=0.43700000 Y=0.75000000 Z=0.01000000
O          NPT=  781  R0=.000100000 RMT= 1.49        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.12700000 Y=0.54700000 Z=0.23300000
          MULT= 8          ISPLIT= 8
      -7: X=0.87300000 Y=0.45300000 Z=0.76700000
      -7: X=0.62700000 Y=0.54700000 Z=0.26700000
      -7: X=0.37300000 Y=0.45300000 Z=0.73300000
      -7: X=0.37300000 Y=0.04700000 Z=0.73300000
      -7: X=0.62700000 Y=0.95300000 Z=0.26700000
      -7: X=0.87300000 Y=0.04700000 Z=0.76700000
      -7: X=0.12700000 Y=0.95300000 Z=0.23300000
O          NPT=  781  R0=.000100000 RMT= 1.49        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000