P   LATTICE,NONEQUIV.ATOMS   6   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
  6.292221 10.854020 12.750171 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.47730000 Z=0.11190000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.52270000 Z=0.61190000
Hf         NPT=  781  R0=.000005000 RMT= 2.18        Z:  72.00000              
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=0.01620000 Z=0.37760000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.98380000 Z=0.87760000
Ta         NPT=  781  R0=.000005000 RMT= 2.23        Z:  73.00000              
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=0.39910000 Z=0.42530000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.60090000 Z=0.92530000
O          NPT=  781  R0=.000100000 RMT= 1.88        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  -4: X=0.00000000 Y=0.87070000 Z=0.07400000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.12930000 Z=0.57400000
O          NPT=  781  R0=.000100000 RMT= 1.88        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=0.25030000 Z=0.84420000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.74970000 Z=0.34420000
O          NPT=  781  R0=.000100000 RMT= 1.88        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=0.00000000 Y=0.80300000 Z=0.66610000
          MULT= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.19700000 Z=0.16610000
N          NPT=  781  R0=.000100000 RMT= 1.94        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000