P   LATTICE,NONEQUIV.ATOMS   6   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
  7.075513 12.908719 28.130463 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.88490000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.11510000 Z=0.00000000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
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=0.49220000 Z=0.00660000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.50780000 Z=0.50660000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
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=0.27450000 Z=0.39450000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.72550000 Z=0.89450000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
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=0.22260000 Z=0.85670000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.77740000 Z=0.35670000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
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=0.61610000 Z=0.65100000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.38390000 Z=0.15100000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
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=0.88240000 Z=0.11350000
          MULT= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.11760000 Z=0.61350000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000