P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.990776 11.961966 14.022146 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
Li         NPT=  781  R0=.000100000 RMT= 1.65        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=0.14345000 Y=0.25000000 Z=0.70738000
          MULT= 4          ISPLIT= 8
      -2: X=0.85655000 Y=0.75000000 Z=0.29262000
      -2: X=0.64345000 Y=0.25000000 Z=0.79262000
      -2: X=0.35655000 Y=0.75000000 Z=0.20738000
Zn         NPT=  781  R0=.000050000 RMT= 1.96        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.40110000 Y=0.25000000 Z=0.63400000
          MULT= 4          ISPLIT= 8
      -3: X=0.59890000 Y=0.75000000 Z=0.36600000
      -3: X=0.90110000 Y=0.25000000 Z=0.86600000
      -3: X=0.09890000 Y=0.75000000 Z=0.13400000
F          NPT=  781  R0=.000100000 RMT= 1.77        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.36230000 Y=0.25000000 Z=0.14110000
          MULT= 4          ISPLIT= 8
      -4: X=0.63770000 Y=0.75000000 Z=0.85890000
      -4: X=0.86230000 Y=0.25000000 Z=0.35890000
      -4: X=0.13770000 Y=0.75000000 Z=0.64110000
S          NPT=  781  R0=.000100000 RMT= 1.33        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.37300000 Y=0.06250000 Z=0.26480000
          MULT= 8          ISPLIT= 8
      -5: X=0.62700000 Y=0.93750000 Z=0.73520000
      -5: X=0.87300000 Y=0.06250000 Z=0.23520000
      -5: X=0.12700000 Y=0.93750000 Z=0.76480000
      -5: X=0.12700000 Y=0.56250000 Z=0.76480000
      -5: X=0.87300000 Y=0.43750000 Z=0.23520000
      -5: X=0.62700000 Y=0.56250000 Z=0.73520000
      -5: X=0.37300000 Y=0.43750000 Z=0.26480000
O          NPT=  781  R0=.000100000 RMT= 1.40        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  -6: X=0.20330000 Y=0.25000000 Z=0.02390000
          MULT= 4          ISPLIT= 8
      -6: X=0.79670000 Y=0.75000000 Z=0.97610000
      -6: X=0.70330000 Y=0.25000000 Z=0.47610000
      -6: X=0.29670000 Y=0.75000000 Z=0.52390000
O          NPT=  781  R0=.000100000 RMT= 1.40        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=0.02980000 Y=0.25000000 Z=0.46200000
          MULT= 4          ISPLIT= 8
      -7: X=0.97020000 Y=0.75000000 Z=0.53800000
      -7: X=0.52980000 Y=0.25000000 Z=0.03800000
      -7: X=0.47020000 Y=0.75000000 Z=0.96200000
O          NPT=  781  R0=.000100000 RMT= 1.40        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000