P   LATTICE,NONEQUIV.ATOMS   6   59 Pmmn                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.121124 17.988303 17.096352 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.75000000 Z=0.54370000
          MULT= 2          ISPLIT= 8
      -1: X=0.75000000 Y=0.25000000 Z=0.45630000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.07051000 Z=0.18223000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.92949000 Z=0.81777000
      -2: X=0.75000000 Y=0.57051000 Z=0.81777000
      -2: X=0.25000000 Y=0.42949000 Z=0.18223000
Mo         NPT=  781  R0=.000010000 RMT= 1.63        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.40720000
          MULT= 2          ISPLIT= 8
      -3: X=0.75000000 Y=0.75000000 Z=0.59280000
Cl         NPT=  781  R0=.000100000 RMT= 2.06        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00880000 Y=0.25000000 Z=0.10900000
          MULT= 4          ISPLIT= 8
      -4: X=0.99120000 Y=0.75000000 Z=0.89100000
      -4: X=0.50880000 Y=0.75000000 Z=0.89100000
      -4: X=0.49120000 Y=0.25000000 Z=0.10900000
Cl         NPT=  781  R0=.000100000 RMT= 2.06        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.01070000 Y=0.55360000 Z=0.30200000
          MULT= 8          ISPLIT= 8
      -5: X=0.98930000 Y=0.44640000 Z=0.69800000
      -5: X=0.51070000 Y=0.05360000 Z=0.69800000
      -5: X=0.48930000 Y=0.94640000 Z=0.30200000
      -5: X=0.48930000 Y=0.55360000 Z=0.30200000
      -5: X=0.51070000 Y=0.44640000 Z=0.69800000
      -5: X=0.98930000 Y=0.05360000 Z=0.69800000
      -5: X=0.01070000 Y=0.94640000 Z=0.30200000
Cl         NPT=  781  R0=.000100000 RMT= 2.06        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.25000000 Y=0.50290000 Z=0.01650000
          MULT= 4          ISPLIT= 8
      -6: X=0.75000000 Y=0.49710000 Z=0.98350000
      -6: X=0.75000000 Y=0.00290000 Z=0.98350000
      -6: X=0.25000000 Y=0.99710000 Z=0.01650000
O          NPT=  781  R0=.000100000 RMT= 1.48        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000