P   LATTICE,NONEQUIV.ATOMS   6   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.693522 11.810410 10.655410 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.17430000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.82570000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT= 1.78        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  -2: X=0.00000000 Y=0.83860000 Z=0.51900000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.16140000 Z=0.01900000
Na         NPT=  781  R0=.000100000 RMT= 2.18        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25600000 Y=0.32770000 Z=0.51600000
          MULT= 4          ISPLIT= 8
      -3: X=0.24400000 Y=0.67230000 Z=0.01600000
      -3: X=0.74400000 Y=0.32770000 Z=0.51600000
      -3: X=0.75600000 Y=0.67230000 Z=0.01600000
Na         NPT=  781  R0=.000100000 RMT= 2.18        Z:  11.00000              
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=0.89900000 Z=0.10250000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.10100000 Z=0.60250000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.17300000 Z=0.68060000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.82700000 Z=0.18060000
N          NPT=  781  R0=.000100000 RMT= 1.56        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.20560000 Y=0.30980000 Z=0.10250000
          MULT= 4          ISPLIT= 8
      -6: X=0.29440000 Y=0.69020000 Z=0.60250000
      -6: X=0.79440000 Y=0.30980000 Z=0.10250000
      -6: X=0.70560000 Y=0.69020000 Z=0.60250000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000