P   LATTICE,NONEQUIV.ATOMS   7   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.675613 10.525775 10.418060 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25130000 Y=0.24620000 Z=0.00150000
          MULT= 4          ISPLIT= 8
      -1: X=0.24870000 Y=0.75380000 Z=0.50150000
      -1: X=0.74870000 Y=0.24620000 Z=0.00150000
      -1: X=0.75130000 Y=0.75380000 Z=0.50150000
Nb         NPT=  781  R0=.000010000 RMT= 1.91        Z:  41.00000              
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=0.24500000 Z=0.49850000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.75500000 Z=0.99850000
Na         NPT=  781  R0=.000100000 RMT= 2.26        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=0.00000000 Y=0.77410000 Z=0.00530000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.22590000 Z=0.50530000
Na         NPT=  781  R0=.000100000 RMT= 2.26        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  -4: X=0.00000000 Y=0.22760000 Z=0.94840000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.77240000 Z=0.44840000
O          NPT=  781  R0=.000100000 RMT= 1.73        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=0.74720000 Z=0.56660000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.25280000 Z=0.06660000
O          NPT=  781  R0=.000100000 RMT= 1.73        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=0.21980000 Y=0.54280000 Z=0.20730000
          MULT= 4          ISPLIT= 8
      -6: X=0.28020000 Y=0.45720000 Z=0.70730000
      -6: X=0.78020000 Y=0.54280000 Z=0.20730000
      -6: X=0.71980000 Y=0.45720000 Z=0.70730000
O          NPT=  781  R0=.000100000 RMT= 1.73        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=0.21980000 Y=0.01780000 Z=0.26260000
          MULT= 4          ISPLIT= 8
      -7: X=0.28020000 Y=0.98220000 Z=0.76260000
      -7: X=0.78020000 Y=0.01780000 Z=0.26260000
      -7: X=0.71980000 Y=0.98220000 Z=0.76260000
O          NPT=  781  R0=.000100000 RMT= 1.73        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000