P   LATTICE,NONEQUIV.ATOMS   7   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.780390 13.109030  8.793841 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.30130000 Y=0.67820000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.19870000 Y=0.32180000 Z=0.75000000
      -1: X=0.69870000 Y=0.67820000 Z=0.25000000
      -1: X=0.80130000 Y=0.32180000 Z=0.75000000
Te         NPT=  781  R0=.000010000 RMT= 1.92        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.01820000 Z=0.32900000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.98180000 Z=0.82900000
S          NPT=  781  R0=.000100000 RMT= 1.34        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.13760000 Y=0.05050000 Z=0.50620000
          MULT= 4          ISPLIT= 8
      -3: X=0.36240000 Y=0.94950000 Z=0.00620000
      -3: X=0.86240000 Y=0.05050000 Z=0.50620000
      -3: X=0.63760000 Y=0.94950000 Z=0.00620000
O          NPT=  781  R0=.000100000 RMT= 1.41        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  -4: X=0.00000000 Y=0.15950000 Z=0.09150000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.84050000 Z=0.59150000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.41210000 Z=0.66220000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.58790000 Z=0.16220000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.26350000 Y=0.40710000 Z=0.38270000
          MULT= 4          ISPLIT= 8
      -6: X=0.23650000 Y=0.59290000 Z=0.88270000
      -6: X=0.73650000 Y=0.40710000 Z=0.38270000
      -6: X=0.76350000 Y=0.59290000 Z=0.88270000
O          NPT=  781  R0=.000100000 RMT= 1.41        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  -7: X=0.00000000 Y=0.81810000 Z=0.22820000
          MULT= 2          ISPLIT= 8
      -7: X=0.50000000 Y=0.18190000 Z=0.72820000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000