P   LATTICE,NONEQUIV.ATOMS   4  136 P42/mnm                                    
MODE OF CALC=RELA unit=bohr                                                    
  9.527999  9.527999 19.420149 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.33600000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.00000000 Z=0.66400000
      -1: X=0.50000000 Y=0.50000000 Z=0.83600000
      -1: X=0.50000000 Y=0.50000000 Z=0.16400000
Na         NPT=  781  R0=.000100000 RMT= 2.03        Z:  11.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 1.91        Z:  41.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.28500000 Y=0.28500000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.71500000 Y=0.71500000 Z=0.00000000
      -3: X=0.21500000 Y=0.78500000 Z=0.50000000
      -3: X=0.78500000 Y=0.21500000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 1.82        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.30900000 Y=0.30900000 Z=0.35900000
          MULT= 8          ISPLIT= 8
      -4: X=0.69100000 Y=0.69100000 Z=0.64100000
      -4: X=0.19100000 Y=0.80900000 Z=0.85900000
      -4: X=0.80900000 Y=0.19100000 Z=0.14100000
      -4: X=0.69100000 Y=0.69100000 Z=0.35900000
      -4: X=0.30900000 Y=0.30900000 Z=0.64100000
      -4: X=0.80900000 Y=0.19100000 Z=0.85900000
      -4: X=0.19100000 Y=0.80900000 Z=0.14100000
F          NPT=  781  R0=.000100000 RMT= 1.82        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000