P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.069896 16.661715 25.142806 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18160000 Y=0.25000000 Z=0.09600000
          MULT= 4          ISPLIT= 8
      -1: X=0.81840000 Y=0.75000000 Z=0.90400000
      -1: X=0.68160000 Y=0.25000000 Z=0.40400000
      -1: X=0.31840000 Y=0.75000000 Z=0.59600000
Te         NPT=  781  R0=.000010000 RMT= 2.42        Z:  52.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.50900000 Y=0.25000000 Z=0.54120000
          MULT= 4          ISPLIT= 8
      -2: X=0.49100000 Y=0.75000000 Z=0.45880000
      -2: X=0.00900000 Y=0.25000000 Z=0.95880000
      -2: X=0.99100000 Y=0.75000000 Z=0.04120000
Cl         NPT=  781  R0=.000100000 RMT= 2.09        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  -3: X=0.40760000 Y=0.25000000 Z=0.20910000
          MULT= 4          ISPLIT= 8
      -3: X=0.59240000 Y=0.75000000 Z=0.79090000
      -3: X=0.90760000 Y=0.25000000 Z=0.29090000
      -3: X=0.09240000 Y=0.75000000 Z=0.70910000
Cl         NPT=  781  R0=.000100000 RMT= 2.09        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  -4: X=0.32750000 Y=0.03040000 Z=0.02840000
          MULT= 8          ISPLIT= 8
      -4: X=0.67250000 Y=0.96960000 Z=0.97160000
      -4: X=0.82750000 Y=0.03040000 Z=0.47160000
      -4: X=0.17250000 Y=0.96960000 Z=0.52840000
      -4: X=0.17250000 Y=0.53040000 Z=0.52840000
      -4: X=0.82750000 Y=0.46960000 Z=0.47160000
      -4: X=0.67250000 Y=0.53040000 Z=0.97160000
      -4: X=0.32750000 Y=0.46960000 Z=0.02840000
S          NPT=  781  R0=.000100000 RMT= 1.90        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.26780000 Y=0.03430000 Z=0.39750000
          MULT= 8          ISPLIT= 8
      -5: X=0.73220000 Y=0.96570000 Z=0.60250000
      -5: X=0.76780000 Y=0.03430000 Z=0.10250000
      -5: X=0.23220000 Y=0.96570000 Z=0.89750000
      -5: X=0.23220000 Y=0.53430000 Z=0.89750000
      -5: X=0.76780000 Y=0.46570000 Z=0.10250000
      -5: X=0.73220000 Y=0.53430000 Z=0.60250000
      -5: X=0.26780000 Y=0.46570000 Z=0.39750000
S          NPT=  781  R0=.000100000 RMT= 1.90        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.13990000 Y=0.56590000 Z=0.28430000
          MULT= 8          ISPLIT= 8
      -6: X=0.86010000 Y=0.43410000 Z=0.71570000
      -6: X=0.63990000 Y=0.56590000 Z=0.21570000
      -6: X=0.36010000 Y=0.43410000 Z=0.78430000
      -6: X=0.36010000 Y=0.06590000 Z=0.78430000
      -6: X=0.63990000 Y=0.93410000 Z=0.21570000
      -6: X=0.86010000 Y=0.06590000 Z=0.71570000
      -6: X=0.13990000 Y=0.93410000 Z=0.28430000
S          NPT=  781  R0=.000100000 RMT= 1.90        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.24590000 Y=0.25000000 Z=0.73160000
          MULT= 4          ISPLIT= 8
      -7: X=0.75410000 Y=0.75000000 Z=0.26840000
      -7: X=0.74590000 Y=0.25000000 Z=0.76840000
      -7: X=0.25410000 Y=0.75000000 Z=0.23160000
S          NPT=  781  R0=.000100000 RMT= 1.90        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000