P   LATTICE,NONEQUIV.ATOMS   4  128 P4/mnc                                     
MODE OF CALC=RELA unit=bohr                                                    
 12.908719 12.908719 19.443392 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 2.35        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=0.50000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
      -2: X=0.50000000 Y=0.00000000 Z=0.25000000
      -2: X=0.50000000 Y=0.00000000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.23660000
          MULT= 4          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.76340000
      -3: X=0.50000000 Y=0.50000000 Z=0.73660000
      -3: X=0.50000000 Y=0.50000000 Z=0.26340000
Cl         NPT=  781  R0=.000100000 RMT= 2.13        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.20050000 Y=0.28610000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -4: X=0.79950000 Y=0.71390000 Z=0.00000000
      -4: X=0.71390000 Y=0.20050000 Z=0.00000000
      -4: X=0.28610000 Y=0.79950000 Z=0.00000000
      -4: X=0.29950000 Y=0.78610000 Z=0.50000000
      -4: X=0.70050000 Y=0.21390000 Z=0.50000000
      -4: X=0.21390000 Y=0.29950000 Z=0.50000000
      -4: X=0.78610000 Y=0.70050000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT= 2.13        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000