P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.644373 14.159718 28.083220 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.19095000 Y=0.25000000 Z=0.07147000
          MULT= 4          ISPLIT= 8
      -1: X=0.80905000 Y=0.75000000 Z=0.92853000
      -1: X=0.69095000 Y=0.25000000 Z=0.42853000
      -1: X=0.30905000 Y=0.75000000 Z=0.57147000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.46908000 Y=0.25000000 Z=0.70380000
          MULT= 4          ISPLIT= 8
      -2: X=0.53092000 Y=0.75000000 Z=0.29620000
      -2: X=0.96908000 Y=0.25000000 Z=0.79620000
      -2: X=0.03092000 Y=0.75000000 Z=0.20380000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.17669000 Y=0.25000000 Z=0.42097000
          MULT= 4          ISPLIT= 8
      -3: X=0.82331000 Y=0.75000000 Z=0.57903000
      -3: X=0.67669000 Y=0.25000000 Z=0.07903000
      -3: X=0.32331000 Y=0.75000000 Z=0.92097000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.50000000 Y=0.00000000 Z=0.50000000
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
      -4: X=0.00000000 Y=0.50000000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.08        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  -5: X=0.34302000 Y=0.50488000 Z=0.12489000
          MULT= 8          ISPLIT= 8
      -5: X=0.65698000 Y=0.49512000 Z=0.87511000
      -5: X=0.84302000 Y=0.50488000 Z=0.37511000
      -5: X=0.15698000 Y=0.49512000 Z=0.62489000
      -5: X=0.15698000 Y=0.00488000 Z=0.62489000
      -5: X=0.84302000 Y=0.99512000 Z=0.37511000
      -5: X=0.65698000 Y=0.00488000 Z=0.87511000
      -5: X=0.34302000 Y=0.99512000 Z=0.12489000
Cl         NPT=  781  R0=.000100000 RMT= 2.08        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=0.29771000 Y=0.25000000 Z=0.91680000
          MULT= 4          ISPLIT= 8
      -6: X=0.70229000 Y=0.75000000 Z=0.08320000
      -6: X=0.79771000 Y=0.25000000 Z=0.58320000
      -6: X=0.20229000 Y=0.75000000 Z=0.41680000
Cl         NPT=  781  R0=.000100000 RMT= 2.08        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  -7: X=0.02699000 Y=0.25000000 Z=0.20137000
          MULT= 4          ISPLIT= 8
      -7: X=0.97301000 Y=0.75000000 Z=0.79863000
      -7: X=0.52699000 Y=0.25000000 Z=0.29863000
      -7: X=0.47301000 Y=0.75000000 Z=0.70137000
Cl         NPT=  781  R0=.000100000 RMT= 2.08        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000